Discussion on the thermodynamic calculation and adsorption spontaneity re Ofudje et al. (2023).

Accurate calculations and precise results are very important for the dissemination of scientific knowledge, whereas the errors of calculation will diminish the academic value of the paper. This discussion focuses on the calculation of thermodynamics and the determination of the spontaneity of adsorption processes in the paper of Ofudje et al. (2023). Ofudje et al. found that the apatite synthesized by chemical method (CHAp) has excellent adsorption properties for cadmium ions, which is an important contribution to the remediation of cadmium pollution. However, the calculation results of standard Gibbs free energy change (ΔGo), standard enthalpy change (ΔHo) and standard entropy change (ΔSo) of the adsorption of Cd2+ onto CHAp surface need to be corrected due to an incorrect calculation. Firstly, the partition coefficient (KD) with a dimension cannot be used for thermodynamic calculation. Secondly, the adsorbent mass (m) described by Ofudje et al. in different Sections is inconsistent, leading to incorrect results of Ko and ΔGo. When the appropriate value of the adsorbent mass is selected and the partition coefficient is converted to the standard adsorption equilibrium constant Ko, the calculated ΔGo is less than zero, which means that the adsorption is spontaneous. This discussion provides the correct calculation method of standard adsorption equilibrium constants and thermodynamic parameters, which can improve the reader's judgment and understanding of adsorption spontaneity.

Biotransformation of Bioactive Metabolites in Cassiae Semen by Endogenous Enzymes and Probiotics.

The present study evaluated the potential of endogenous enzymes and probiotics in transforming bioactive metabolites to reduce the purgative effect and improve the functional activity of Cassiae Semen and verified and revealed the biotransformation effect of endogenous enzymes. Although probiotics, especially Lactobacillus rhamnosus, exerted the transformation effect, the endogenous enzymes proved to be more effective in transforming the components of Cassiae Semen. After biotransformation by endogenous enzymes for 12 h, the levels of six anthraquinones in Cassiae Semen increased by at least 2.98-fold, and free anthraquinones, total phenolics, and antioxidant activity also showed significant improvement, accompanied by an 82.2% reduction in combined anthraquinones responsible for the purgative effect of Cassiae Semen. Further metabolomic analysis revealed that the biotransformation effect of endogenous enzymes on the bioactive metabolites of Cassiae Semen was complex and diverse, and the biotransformation of quinones and flavonoids was particularly prominent and occurred by three primary mechanisms, hydrolyzation, methylation, and dimerization, might under the action of glycosyl hydrolases, SAM-dependent methyltransferases, and CYP450s. Accordingly, biotransformation by endogenous enzymes emerges as a mild, economical, food safety risk-free, and effective strategy to modify Cassiae Semen into an excellent functional food.

Reproductive strategy response of the fungi Sarocladium and the evaluation for remediation under stress of heavy metal Cd(II).

Cadmium (Cd) is documented as one of the most lethal metals and poses a major threat to all life forms in the environment due to its toxic effects. Bioremediation of hazardous metals has received considerable and growing interest over the years. The functional fungi with tolerance to the heavy metal Cd were screened from the mining soil samples. Two fungi isolates from coal mine soil were characterized as Sarocladium sp. M2 and Sarocladium sp. M6 based on morphological and partial ITS sequencing analysis. M2 and M6 exhibited high levels of resistance to cadmium, and they were investigated for their micro-morphology and application in heavy metal removal with different concentration Cd(II) (0, 50, 100, 150 and 200 mg/L). The colony morphology of M2 and M6 gradually become very similar to that of bacteria with the increase of cadmium concentration (150-200 mg/L). Micro-morphological studies showed that Cd(II) exposure caused the disappearance of conidial heads and the occurrence of hyphae breakage (100-200 mg/L Cd(II), which is consistent to the colony morphology results. The surface/volume ratio of the spores decreased with the presence of Cd(II). The removal potential of fungi for cadmium was quantified by atomic absorption spectrometry. M2 and M6 showed great potential as bioremediators for highly Cd(II)-contaminated environment. The highest Cd(II) biosorption capacity was 5.13 ± 0.21 mg/g for M2 and 6.04 ± 0.21 mg/g for M6. The highest heavy metal sorption by M2 removed 57.11% ± 4.45% Cd(II) while that of M6 removed 48.35% ± 1.44% Cd(II) in 200 mg/L initial concentration Cd(II). To the best of our knowledge, this is the first report that cadmium induced the change of reproduction mode of the Sarocladium, from conidia to arthrospores, which made the colony morphological modifications, from the fungi colony morphology to the bacteria colony morphology. The arthrospore-modified (hyphae breakage) seemed to accumulate greater amounts of heavy metals than filamentous hyphae formation.

Prediction of the potentially suitable areas of Leonurus japonicus in China based on future climate change using the optimized MaxEnt model.

Leonurus japonicus Houtt. is a traditional Chinese medicinal plant with high medicinal and edible value. Wild L. japonicus resources have reduced dramatically in recent years. This study predicted the response of distribution range of L. japonicus to climate change in China, which provided scientific basis for the conservation and utilization. In this study, 489 occurrence points of L. japonicus were selected based on GIS technology and spThin package. The default parameters of MaxEnt model were adjusted by using ENMeva1 package of R environment, and the optimized MaxEnt model was used to analyze the distribution of L. japonicus. When the feature combination in the model parameters is hing and the regularization multiplier is 1.5, the MaxEnt model has a higher degree of optimization. With the AUC of 0.830, our model showed a good predictive performance. The results showed that L. japonicus were widely distributed in the current period. The maximum temperature of warmest month, the min temperature of coldest month, the precipitation of wettest month, the precipitation of driest month, and altitude were the main environmental factors affecting the distribution of L. japonicus. Under the three climate change scenarios, the suitable distribution area of L. japonicus will range shift to high latitudes, indicating that the distribution of L. japonicus has a strong response to climate change. The regional change rate is the lowest under the SSP126-2090s scenario and the highest under the SSP585-2090s scenario.

Evaluation of nutritional value, bioactivity and mineral content of quinoa bran in China and its potential use in the food industry.

Quinoa bran is a by-product during quinoa processing, which is not well used due to its high content of antinutritional factors. The nutritional, antinutritional, antioxidative and mineral content were analyzed in quinoa bran from five producing areas (Hebei, Shanxi, Qinghai, Inner Mongolia and Gansu Province) in China. The results showed that the mean values of protein, starch, fat, fiber, reducing sugar, ash, moisture and energy in quinoa bran were 9.35%, 47.37%, 8.26%, 10.74%, 3.68%, 6.25%, 9.29% and 360.2 kcal/100 g, respectively. Although the protein content in quinoa bran is lower than that in quinoa grain, it is comparable to that in other grains (rice, corn, millet and sorghum) and brans (wheat, oat and rice), so it has the commercial potential to be processed into animal feed or other edible food. The contents of antioxidant flavonoids (460.9 mg/100g) and polyphenols (477.8 mg/100 g) in quinoa bran were higher than those in quinoa grain, suggesting that quinoa bran had better antioxidant capacity. The contents of saponins, tannins and phytic acid in quinoa bran were 18.65, 0.30 and 0.73%, respectively. The content of saponins was nearly one times higher than that in quinoa grain, the contents of tannins and phytic acid, however, were lower than those in quinoa grain. Therefore, the removal of saponins is the key to eliminate the antinutritional properties of quinoa bran. The contents of macroelements (sodium, potassium, calcium, magnesium, phosphorus) and microelements (iron, manganese, copper, zinc, cobalt, molybdenum, selenium, barium) in quinoa bran were generally higher than those in quinoa grain, which was consistent with the results of ash determination. In summary, quinoa bran was found to be a rich source of nutritional and bioactive components and minerals. If the antinutritional problem can be overcome, quinoa bran has great potential for application in the food industry.

Prediction of potential distribution areas and priority protected areas of Agastache rugosa based on Maxent model and Marxan model.

Agastache rugosa (Fisch. & C. A. Mey.) Kuntze has been widely studied because of its high medicinal and edible value. Establishing the priority protected area of wild A. rugosa can provide scientific basis for the protection of germplasm resources. In this study, we predicted the potential suitability distribution area of A. rugosa under the current and future climate scenarios with the MaxEnt model, and the dominant climate factors affecting the distribution of A. rugosa were analyzed. Based on the above results, we predicted the priority protected areas of A. rugosa with the Marxan model. The results showed that A. rugosa is mainly distributed in the eastern and central regions of China at present. In future, the suitable area of A. rugosa will increase, otherwise a few areas will shrink back and migrate to the high latitude areas as a whole. Hydrothermal conditions are the main environmental factors affecting the distribution of A. rugosa. The priority protected areas of A. rugosa are mainly distributed in Chongqing, eastern Sichuan, southern Guizhou, western Hunan and Hubei and southwestern Shaanxi, which are basically consistent with the highly suitable areas predicted by Maxent model. The results of this study are of great significance for the protection and rational utilization of species of Agastache.

Effects of Pb(II) and Zn(II) Contamination on Adsorption, Desorption and Degradation of Cry1Ac Toxin Identical to Bt Transgenic Poplar in Black Soil.

Bt transgenic white poplar has been commercially planted in China since 2002, and it showed obvious insect resistance in the field. However, the ecological risk of planting Bt transgenic poplar in a field contaminated with heavy metals has received little attention. The effects of Pb(II) and Zn(II) contamination on the adsorption, desorption and degradation of Bt toxin identical to Bt transgenic poplar in black soil were studied. The results showed that the adsorption of Bt toxin was enhanced and the desorption of Bt toxin was inhibited in black soil by Pb(II) and Zn(II) at concentrations between 0 and 1 mmol/L, and the effect of Pb(II) on Bt toxin was greater than that of Zn(II). In the presence of heavy metal ions, the Cry1Ac toxin molecules are oriented with domain I toward soil particles through the metal ion bridge. The promoting mechanism of Bt toxin adsorption by heavy metal ions in black soil is mainly attributed to cation-controlled electrostatic attraction (CCEA), which is different from patch-controlled electrostatic attraction (PCEA). With the increase in soil concentration from 1 to 4 mg/mL, the adsorption amount of Bt toxin showed a downward trend, and both Pb(II) and Zn(II) had the maximal promotion effect when the soil concentration was 2 mg/mL. The promoting effect of Zn(II) on the adsorption of Bt toxin increased with the increased temperature (5-45 °C), but the promoting effect of Pb(II) was maximal at 25 °C. Both Pb(II) and Zn(II) affected the degradation characteristics of Bt toxin in black soil. For the lead-contaminated black soil, the residual amount of Bt toxin increased in the early stage but decreased in the later stage compared to the control soil. For the zinc-contaminated black soil, the residual amount of Bt toxin decreased compared to the control soil except between the second and tenth days. In this study, it was observed that Bt toxin was degraded rapidly in the early stage, followed by a large amount of released Bt toxin and slow degradation in the middle and late stages.

Discussion on the thermodynamic calculation by distribution constant in Journal of Contaminant Hydrology 243 (2021) 103906.

This comment discussed the calculation of thermodynamic parameters about the paper published in Journal of Contaminant Hydrology 243 (2021) 103906. Despite the paper's novelty and innovation, the distribution constant (Kd) with a dimension of L/mg is not the standard equilibrium constant (Ko), therefore, it cannot be used to calculate the thermodynamic parameters. By analyzing the incorrect results and providing the reasonable method for calculating the thermodynamic parameters，this comment is helpful to understand the calculation principle of thermodynamic parameters by the distribution constant and avoid the misuse of incorrect formulas.

Correction to the thermodynamic calculation using the Langmuir isotherm model by Saeed et al. (2022).

The thermodynamic parameters are usually used to analyze the spontaneity, thermal and random change of the adsorption process, therefore, it is important to obtain these parameters accurately. Recently, Saeed et al. (2022) published a high academic paper to reveal the adsorption properties and mechanism of dyes onto the chitosan composite of the iron metal-organic framework (CS/MOF-235). However, the thermodynamic parameters of ΔG and ΔS need to be corrected because their results affected the analyzed conclusions. In the present study, the thermodynamic parameters were recalculated by using the correct method through the Langmuir isotherm model. The recalculated thermodynamic parameters indicated that the change in free energy (ΔG) for the removal of methylene blue (MB) and methyl orange (MO) onto CS/MOF-235 is negative but not positive, meaning that the adsorption of dyes (MB and MO) is spontaneous but not non-spontaneous. The change in entropy (ΔS) is positive but not negative, implying that the randomness increases but not decreases during the adsorption process. The enthalpy (ΔH) maintained negative value and the entropy (ΔS) obtained positive value indicate that both of them are the driving forces of the adsorption.

Comments on the calculation of the standard equilibrium constant using the Langmuir model in Journal of Hazardous Materials 422 (2022) 126863.

The calculation of equilibrium constant from the Langmuir model is widely used in the literature. However, the dimensional problem of the equilibrium constant has often been ignored. For example, a recent publication on the strong properties of the new adsorbent for tetracycline. Nevertheless, this used an improper calculation of the standard equilibrium constant, confusing solute and solution. This creates dimension for K0 obtained from Eq. (13). Unfortunately, K0 should be dimensionless. In this comment, the origin and background of this kind of error is analyzed and the method for correcting the error is presented. Specifically, we establish a clear relationship between the Langmuir constant (KL) and the standard equilibrium constant (K0). We hope this comment clarifies the essence of calculating the standard equilibrium constant by using the Langmuir model, so others avoid the propagation of this kind of error.

Comment on the calculation of equilibrium constant and thermodynamic parameters by the distribution coefficient in Environmental Research 203 (2022) 111814.

This comment discussed the calculation of equilibrium constant and thermodynamic parameters in the paper of Kayalvizhi et al. (2022). This paper is of high academic value, however, there are some calculation and quotation errrors. The equilibrium constant K evolved from the distribution coefficient has a dimension of L/g, which is not the standard equilibrium constant, therefore, it cannot be used to calculate the thermodynamic parameters. This comment firstly analyzed the calculation errors made by Kayalvizhi et al. (2022), then established the relationship between distribution coefficient and standard equilibirum constant, and recalculated the thermodynamic parameters by using the correct distribution coefficient equation. As a research paper, authors not only provide the originality and novelty, but also give its correct results. This comment can bring to the attention of readers, authors, editors and reviewers about the thermodynamic calculation. At the same time, it is helpful to avoid the misuse and propagation of the incorrect equation in the area of adsorption thermodynamics.

Functionally Graded Scaffolds with Programmable Pore Size Distribution Based on Triply Periodic Minimal Surface Fabricated by Selective Laser Melting.

Functional graded materials are gaining increasing attention in tissue engineering (TE) due to their superior mechanical properties and high biocompatibility. Triply periodic minimal surface (TPMS) has the capability to produce smooth surfaces and interconnectivity, which are very essential for bone scaffolds. To further enhance the versatility of TPMS, a parametric design method for functionally graded scaffold (FGS) with programmable pore size distribution is proposed in this study. Combining the relative density and unit cell size, the effect of design parameters on the pore size was also considered to effectively govern the distribution of pores in generating FGS. We made use of Gyroid to generate different types of FGS, which were then fabricated using selective laser melting (SLM), followed by investigation and comparison of their structural characteristics and mechanical properties. Their morphological features could be effectively controlled, indicating that TPMS was an effective way to achieve functional gradients which had bone-mimicking architectures. In terms of mechanical performance, the proposed FGS could achieve similar mechanical response under compression tests compared to the reference FGS with the same range of density gradient. The proposed method with control over pore size allows for effectively generating porous scaffolds with tailored properties which are potentially adopted in various fields.

Design and Characterization of Sheet-Based Gyroid Porous Structures with Bioinspired Functional Gradients.

A new type of sheet porous structures with functionally gradients based on triply periodic minimal surfaces (TPMS) is proposed for designing bone scaffolds. The graded structures were generated by constructing branched features with different number of sheets. The design of the structure was formulated mathematically and five types of porous structure with different structural features were used for investigation. The relative density (RD) and surface area to volume (SA/V) ratio of the samples were analyzed using a slice-based approach to confirm their relationships with design parameters. All samples were additively manufactured using selective laser melting (SLM), and their physical morphologies were observed and compared with the designed models. Compression tests were adopted to study the mechanical properties of the proposed structure from the obtained stress-strain curves. The results reveal that the proposed branched-sheet structures could enhance and diversify the physical and mechanical properties, indicating that it is a potential method to tune the biomechanical properties of porous scaffolds for bone tissue engineering (TE).

Global stability of COVID-19 model involving the quarantine strategy and media coverage effects.

In this paper, we build and analyze a mathematical model of COVID-19 transmission considering media coverage effects. Due to transmission characteristics of COVID-19, we can divided the population into five classes. The first class describes the susceptible individuals, the second class is exposed individuals, the third class is infected individuals, the fourth class is quarantine class and the last class is recovered individuals. The existence, uniqueness and boundedness of the solutions of the model are discussed. The basic reproduction number ℛ 0 is obtained. All possible equilibrium points of the model are investigated and their local stability is discussed under some conditions. The disease-free equilibrium is local asymptotically stable when ℛ 0 < 1 and unstable when ℛ 0 > 1 . The globally asymptotical stability of all point is verified by Lyapunov function. Finally, numerical simulations are carried out to confirm the analytical results and understand the effect of varying the parameters on spread of COVID-19. These findings suggested that media coverage can be considered as an effective way to mitigate the COVID-19 spreading.

Comment on the thermodynamic calculation using the non-standard equilibrium constant re Jemutai-Kimosop et al. (2020) and Conde-Cid et al. (2019).

This comment discussed the calculation of thermodynamic parameters about the paper of Jemutai-Kimosop et al. (2020) and Conde-Cid et al. (2019). Although these articles are valuable, in these cases, the equilibrium constant (K), which is used for the calculation of thermodynamic parameter is incorrect. The root reason for the errors in both articles is that the non-standard equilibrium constant was used to calculate the thermodynamic parameter, which is contrary to the principle of thermodynamics. This comment provided a correct method for the calculation of the standard equilibrium constant by using the distribution coefficient and Langmuir equation. This note can avoid the misuse and propagation of the incorrect equation in the area of adsorption thermodynamics.

Correction to the calculation of Polanyi potential from Dubinnin-Rudushkevich equation.

The Dubinin-Radushkevitch (D-R) adsorption isotherm model has been widely used to measure adsorption, and it can be used to value the mean free adsorption energy (E). In order to do this, the first step is to calculate the Polanyi adsorption potential (Ɛ). However, we find that the computational formula of Polanyi potential from the D-R equation has a dimensinal problem. Specifically, the units of the equilibrium concentration of solute (Ce) used in the Polanyi potential equation are in chaos. Accurate calculation is the basic characteristic of scientific papers. This comment highlighted the possible flaws related to the calculation of Polanyi potential and analyzed the evolution and application of Polanyi potential equation, and then provided the modified form of Polanyi potential equation. This note offers deeper insights into the Polanyi potential equation, and can help avoid misuse and propagation of the Polanyi potential equation in adsorption research.

The prevalence of human T-cell leukemia virus in blood donors in China.

BACKGROUND: China has not yet incorporated routine human T-lymphotropic virus (HTLV)-1/2 blood donor screening, even though HTLV has been reported in the southeastern coastal region. This study was conducted to investigate the prevalence of HTLV in five major regions across of China. METHODS: From January 2016 to December 2017, blood samples were collected in 20 blood centers located in different regions of China. These samples were screened for HTLV-1/2 antibodies using enzyme-linked immunosorbent assay (ELISA). If the test samples were reactive, the samples were confirmed with a western blot (WB) assay. If the results of WB were indeterminate, the donor was interviewed after a minimum lapse of 8 weeks. All follow-up samples from donors were tested for anti-HTLV-1/2 with ELISA and WB. RESULTS: There were 875,453 donor samples tested for anti-HTLV-1/2 by ELISA. In all, 365 samples tested negative, 22 samples tested positive by WB, and 14 samples with HTLV status undetermined due to being lost to follow-up. The prevalences were 11.09, 5.96, 3.16, 2.88 and 0.98 per 100,000 in Xiamen, Changsha, Beijing, Shenzhen, and Nanjing blood center, respectively. The prevalences were 0 per 100,000 for all 15 other blood centers. There was significant differences in the prevalence of HTLV in different regions of China (p = 0.0011). CONCLUSION: In China, HTLV-1 confirmed positive donors are mainly from southeastern coastal areas. It may be necessary to conduct HTLV screening in these areas to reduce the risk of transfusion-transmitted HTLV.

Effects of toxin from Bacillus thuringiensis (Bt) on sorption of Pb (II) in red and black soils: equilibrium and kinetics aspects.

Bt crops have been widely commercialized for cultivation in the world, but as yet, the effects of Bt toxin on sorption of heavy metals in soils has not been reported. In this study, the effects of toxin from Bacillus thuringiensis on Pb (II) sorption by red (Ultisol) and black soil (Vertisol) were studied using the batch method. The results showed that Pb(II) sorption by both soil types decreased in the presence of Bt toxin from 0 to 10 mg/L, which was probably due to the sorptive sites competition and Pb-toxin complex formation. The Langmuir and Freundlich isotherm models were fitted well to the sorption data at different Bt toxin additions. The sorption capacity of black soil for Pb (II) was higher than that of red soil, however, the influential trends of Bt toxin to the maximum capacity of Pb (II) in both soils was reversed. Sorption of Pb (II) in both soils was rapid and reached equilibrium within 80 min, following the pseudo-second-order kinetic model. Decreasing sorption of Pb (II) by red and black soils was observed in the presence of Bt toxin, suggesting that the environmental risk of Pb(II) may increase if Bt toxin is released by Bt crops.