Physicochemical Research Articles

Cloning and Bioinformatics Analysis of FecB Gene in Improved Offspring of Suffolk Sheep

As is well known, the FecB (BMPR-IB) gene, as the earliest gene discovered by scientists that is closely related to sheep fertility, is the major gene responsible for multiple births in sheep. FecB gene shows a notable linkage with the quantity of newborn lambs. However, there has been limited research on the physicochemical properties and distribution of FecB in the improved descendants of Suffolk sheep. Therefore, this study first constructed a phylogenetic tree of the FecB (BMPR1B) protein in 30 species. The results showed that the improved descendants of Suffolk sheep are closely related to goats, water buffalo, domestic cattle, and humped cattle, indicating a strong level of conservation of BMPR-IB gene within the genus. At the same time, the physicochemical properties and structure of the FecB protein were analyzed, revealing that the FecB protein in the improved descendants of Suffolk sheep is positively charged, belongs to hydrophilic unstable alkaline proteins, contains a signal peptide, is a transmembrane protein, and has 56 phosphorylation sites. The secondary structure of the FecB protein consists of α-helices, extended chains, β-turns, and random coils, accounting for 34.86%, 13.15%, 3.39%, and 48.61%, respectively. Protein interaction analysis also showed that FecB has extensive regulatory interactions with members of the bone morphogenetic protein family. However, the examination of the BMPR-IB gene’s expression levels in nine tissues, which encompasses the heart, liver, spleen, and ovaries of the improved descendants of Suffolk sheep, showed the highest expression in the kidneys and the lowest expression in the spleen and small intestine. This study extensively explored the tissue expression profile and protein physicochemical structure of the BMPR-IB gene in the improved descendants of Suffolk sheep, aiming to lay a theoretical foundation for selecting high-yield improved descendants of Suffolk sheep.

Effects of root-derived organic acids on sorption of pharmaceutically active compounds in sandy topsoil

The presence and fate of pharmaceutically active compounds (PhACs) in agricultural fields are rarely investigated. The present study highlights that root-derived low-molecular-weight organic acids (LWMOAs) affect the mobility of PhACs in cultivated humic Arenosol. Sorption experiments are conducted using three PhACs characterised by different physicochemical properties: carbamazepine (CBZ), 17α-ethinylestradiol (EE2), and diclofenac-sodium (DFC). The results suggest that the adsorption of EE2 is more intense than the other two PhACs, whereas DFC and CBZ are primarily dominated by desorption. LMWOAs mainly provide additional low-energy adsorption sites for the PhACs, and slight pH changes do not significantly affect the sorption mechanism. During competitive adsorption, the high-energy sites of the adsorbents are initially occupied by EE2 owing to its high adsorption energy (∼15 kJ/mol). The new low-energy binding sites enhance the adsorption of DFC (from 8.5 % to 72.0 %) and CBZ (from 31 % to 70.0 %) during multicomponent adsorption. LMWOAs not only affect adsorption by modifying the pH but also provide additional binding sites that allow the PhACs to remain in the root environment for a longer period. As the concentration of LMWOAs temporarily changes, so does the availability of PhACs in the root zone. Environmental changes in the humic horizon enhance the mobility of the adsorbed PhACs, which renders them continuously available for uptake by plants, thus increasing the possibility of PhACs entering the human food chain.

Exploring the potential of sustainable use of reclaimed water to improve crop production in response to contaminants in Vigna radiata

An efficient method of managing agricultural resources is to reuse wastewater for crop irrigation and fertilization. Irrigation using reclaimed water after treatment can have both beneficial and bad environmental effects. The national water strategy of Saudi Arabia considers reclaimed wastewater as an essential component of Saudi Arabia's water resource. It targets to decrease the load of desalination from the Red Sea and use it as a major source of agriculture and industrial use. In Vigna radiata, an experiment is carried out to determine the level of dilution for agricultural application in a seed germination experiment in response to contaminants. The physicochemical properties such as pH, ammonia, turbidity, and chloride values of reclaimed water were higher as compared to the standard guidelines of KSA for using irrigation water. Further, all the studied parameter concentrations decreased with the dilution of tap water. In the seed germination experiment,% germination, relative seed germination, seedling vigor index, etc. were calculated as compared to the control. The results infer that the application of 30 % reclaimed water (T2) enhanced the germination percentage, relative seed germination, and seedling vigor index of V. radiata. The growth of root, shoot, relative shoot growth, fresh weight, and dry weight of seedlings showed that T5 and T6 treatments are not suitable for Vigna cultivation as compared to the control. However, the results suggested that dilution of reclaimed water decreases the concentrations of potential contaminants of emerging concern, heavy metals, pesticides, etc., and makes the water suitable for irrigation.

Preparation and In vitro Evaluation of Folated Pluronic F87/TPGS Co-modified Liposomes for Targeted Delivery of Curcumin.

Using targeted liposomes to encapsulate and deliver drugs has become a hotspot in biomedical research. Folated Pluronic F87/D-α-tocopheryl polyethylene glycol 1000 succinate (TPGS) co-modified liposomes (FA-F87/TPGS-Lps) were fabricated for curcumin delivery, and intracellular targeting of liposomal curcumin was investigated. FA-F87 was synthesized and its structural characterization was conducted through dehydration condensation. Then, cur-FA-F87/TPGS-Lps were prepared via thin film dispersion method combined with DHPM technique, and their physicochemical properties and cytotoxicity were determined. Finally, the intracellular distribution of cur-FA-F87/TPGS-Lps was investigated using MCF-7 cells. Incorporation of TPGS in liposomes reduced their particle size, but increased the negative charge of the liposomes as well as their storage stability, and the encapsulation efficiency of curcumin was improved. While, modification of liposomes with FA increased their particle size, and had no impact on the encapsulation efficiency of curcumin in liposomes. Among all the liposomes (cur-F87-Lps, cur-FA-F87-Lps, cur-FA-F87/TPGS-Lps and cur-F87/TPGS-Lps), cur-FA-F87/TPGS-Lps showed highest cytotoxicity to MCF-7 cells. Moreover, cur-FA-F87/TPGS-Lps was found to deliver curcumin into the cytoplasm of MCF-7 cells. Folate-Pluronic F87/TPGS co-modified liposomes provide a novel strategy for drug loading and targeted delivery.

Forgotten Topological and Wiener Indices of Prime Ideal Sum Graph of Zn.

Chemical graph theory is a sub-branch of mathematical chemistry, assuming each atom of a molecule is a vertex and each bond between atoms as an edge. Owing to this theory, it is possible to avoid the difficulties of chemical analysis because many of the chemical properties of molecules can be determined and analyzed via topological indices. Due to these parameters, it is possible to determine the physicochemical properties, biological activities, environmental behaviours and spectral properties of molecules. Nowadays, studies on the zero divisor graph of Z_n via topological indices is a trending field in spectral graph theory. For a commutative ring R with identity, the prime ideal sum graph of R is a graph whose vertices are nonzero proper ideals of R and two distinctvertices I and J are adjacent if and only if I+J is a prime ideal of R. In this study the forgotten topological index and Wiener index of the prime ideal sum graph of Z_n are calculated for n=p^α,pq,p^2 q,p^2 q^2,pqr,p^3 q,p^2 qr,pqrs where p,q,r and s are distinct primes and a Sage math code is developed for designing graph and computing the indices. In the light of this study, it is possible to handle the other topological descriptors for computing and developing new algorithms for next studies and to study some spectrum and graph energies of certain finite rings with respect to PIS-graph easily.

Physicochemical properties of ionic liquids with indole removal function

Indole exists in coal tar, gasoline, diesel oil and other oil products, in the process of using oil products, will cause serious pollution to the environment, so it is necessary to remove indole from oil products. In this paper, 1-hydroxy-3-methylimidazolserine was synthesized and characterized. Its density, surface tension, and refractive index were measured every 5 K in the range of 293.15–333.15 K using standard addition method. The relationships between temperature and water content were discussed. The mass change with time was measured by thermogravimetric analyzer, and its evaporation enthalpy was discussed. Furthermore, the polarity was predicted using these data. Finally, it was used to separate indole from simulated oil. A simulated oil solution containing 0.2 g/L indole was extracted under conditions of a mass ratio of 1:5 between ionic liquid and simulated oil, temperature of 30 °C, and time of 60 min. The extraction rate reached 88.9 %, indicating that the prepared ionic liquid can be used as an extractant for removing indole from simulated oil. In addition, the extraction mechanism was also investigated, and it was found that the indole was successfully extracted from the simulated oil because of the hydrogen bond between the indole and the ionic liquid.

The antibacterial and hemostatic curdlan hydrogel–loading epigallocatechin gallate for facilitating the infected wound healing

The infected wounds pose one of the major threats to human health today. To address this issue, it is necessary to develop innovative wound dressings with superior antibacterial activity and other properties. Due to its potent antibacterial, antioxidant, and immune-boosting properties, epigallocatechin gallate (EGCG) has been widely utilized. In this study, a multifunctional curdlan hydrogel loading EGCG (Cur-EGCGH3) was designed. Cur-EGCGH3 exhibited excellent physicochemical properties, good biocompatibility, hemostatic, antibacterial, and antioxidant activities. Also, ELISA data showed that Cur-EGCGH3 stimulated macrophages to secrete pro-inflammatory and pro-regenerative cytokines. Cell scratch results indicated that Cur-EGCGH3 promoted the migration of NIH3T3 and HUVECs. In vivo experiments confirmed that Cur-EGCGH3 could inhibit bacterial infection of the infected wounds, accelerate hemostasis, and promote epithelial regeneration and collagen deposition. These results demonstrated that Cur-EGCGH3 holds promise for promoting healing of the infected wounds.

From Traditional Medicine to Advanced Therapeutics: The Renaissance of Phyto-nano Interventions in Psoriasis.

Psoriasis is an autoimmune systemic chronic inflammatory disease that exhibits characteristic detrimental effects on the skin, often leading to infections or comorbid conditions. The multifaceted nature of psoriasis has made it very challenging to treat, especially with current chemotherapy options. Therefore, it is essential to consider phytoconstituents as novel alternatives. However, despite demonstrating higher anti-inflammatory, anti-psoriasis, and immunomodulatory potential, their clinical usage is hindered due to their poor physicochemical properties. To address these drawbacks, nanoparticulate drug delivery systems have been developed, helping to achieve better permeation of phytoconstituents through topical administration. This has breathed new life into traditional systems of medicine, particularly in the context of treating psoriasis. In this current review, we present a detailed, comprehensive, and up-to-date analysis of the literature, which will contribute to affirming the clinical role of phyto-nano interventions against psoriasis.

Effects of soaking glutinous sorghum grains on physicochemical properties of starch

Glutinous sorghum grains were soaked (60–80 °C, 2–8 h) to explore the effects of soaking, an essential step in industrial processing of brewing, on starch. As the soaking temperature increased, the peak viscosity and crystallinity of starch gradually decreased, while the enzymatic hydrolysis rate and storage modulus first increased and then decreased. At 70 °C, the content of amylose, the enzymatic hydrolysis rate of starch, and the final viscosity first increase and then decrease with the increase of soaking time, reaching their maximum at 6 h, increased by 53.1 %, 11.0 %, and 10.4 %, respectively, as compared with the non-soaked sample. At 80 °C (4 h), the laser confocal microscopy images showed a network structure formed between the denatured protein chains and the leached-out amylose chains. The molecular weights of starch before and after soaking were all in the range of 3.82–8.98 × 107 g/mol. Since 70 °C is lower than that of starch gelatinization and protein denaturation, when soaking for 6 h, the enzymatic hydrolysis rate of starch is the highest, and the growth of miscellaneous bacteria is inhibited, which is beneficial for subsequent processing technology. The result provides a theoretical basis for the intelligent control of glutinous sorghum brewing.

Effects of various pyrolysis temperatures on the physicochemical characteristics of crop straw-derived biochars and their application in tar reforming

As a by-product of the rapid pyrolysis of biomass, biochar not only plays an important role in the biomass conversion process but also holds significant potential value in the catalytic conversion field. This study aimed to evaluate the physicochemical properties changes of biochars at different pyrolysis temperatures and their potential application in tar reforming. Biochars derived from three feedstocks of maize straw (MS), rice husk (RH), and cotton straw (CS) were achieved by fast pyrolysis within a broad temperature range of 300~900 °C, respectively. The results showed that the pyrolysis temperature exerted a pronounced influence on the structural characteristics of biochar. With increasing temperature, the H/C and O/C ratios progressively decreased, accompanied by a significant reduction in oxygen-containing structures. In addition, elevated pyrolysis temperatures contributed favorably to the formation of the crystalline structure of biochar. Raman analysis unveiled a correlation between the fused aromatic ring system and H/C ratios, validating the aromatization progress of biochar. In the tar catalytic reforming process, the three representative biochars, under the effect of MS-600 (standing for MS biochar derived at 600 °C), RH-600, and CS-600 catalysts, exhibited outstanding catalytic performance with tar conversion efficiencies of 73.26%, 68.51%, and 71.43%, respectively. This study provided systematic support for the high-value use of biochar from crop straw.

Plant biomass partitioning in alpine meadows under different herbivores as influenced by soil bulk density and available nutrients

Biomass allocation is a key mechanism for understanding the response of alpine meadow plants to environmental changes. However, the two major theories of plant biomass partitioning, that is, optimal and equidistant allocation, are highly controversial. This study aimed to test these hypotheses by using the biomass allocation pattern of Qinghai–Tibetan Plateau alpine meadows under different herbivore assemblages and enclosures and to identify the key physicochemical factors driving changes in biomass allocation. The results showed that fencing and grazing lead to the allocation of more biomass to roots and shoots, respectively. Additionally, our results support the optimal allocation hypothesis, which is mainly regulated by changes in soil physicochemical properties. Specifically, the trade-off between aboveground- and belowground biomass negatively correlated with the soil bulk density, soil moisture, available nitrogen, and available phosphorus but positively correlated with available potassium. In terms of biomass trade-offs, co-grazing yaks and Tibetan sheep at a 1:6 ratio with moderate grazing intensity may be a reasonable method to use and protect alpine meadows on the Qinghai-Tibetan Plateau.

Optimization of oat protein and gum Arabic microcapsules containing juniper essential oil using Response Surface Methodology

In this study, we explored the feasibility of using oat soluble protein and gum Arabic as wall materials for microencapsulation via complex coacervation of juniper dissolved in wheat germ oil EO. The process was optimized using response surface methodology (RSM), varying mixing ratios (20-80%) and pH levels (2-6), followed by freeze-drying of the coacervates. Physicochemical properties of the resulting powders, including solubility, hygroscopicity, moisture content, color, particle size distribution, and bulk and tapped density, were assessed. Encapsulation efficiency (EE) was determined through surface and total oil content calculations, supported by FT-IR spectroscopy. Characterization involved e-nose sensor analysis and differential scanning calorimetry (DSC). The study findings revealed encapsulation efficiencies (EE) ranging from 23.38% to 26.58%, accompanied by low bulk and tapped densities (0.11-0.17g/cm3 and 0.20-0.28g/cm3, respectively), as well as elevated Carr Index values (36.92-46.34) and Hausner ratios (1.59-1.86). Moisture content varied between 0.07% and 0.93% across the samples. Additionally, the research demonstrated that employing oat protein and gum Arabic as wall materials enables the production of microcapsules with thermal stability exceeding 100 ℃, facilitating their potential application in the food industry.

The Effect of Solvent on the Characteristics of FeBTC MOF as a Potential Heterogenous Catalyst Prepared via Green Mechanochemical Process

In this study, the synthesis of FeBTC (BTC = 1,3,5-benzenetricarboxylate) also known as MIL-100 (Fe) metal organic framework (MOF) has been carried out successfully using green mechanochemical method (neat grinding and liquid assisted grinding). The effect of solvent used in the synthesis was investigated for the first time to elucidate the physicochemical properties of FeBTC including crystal structure, thermal stability, pore size and specific surface area. The physicochemical properties of all FeBTC obtained in this study were compared to commercial FeBTC (Basolite F-300), characterized using powder X-Ray Diffraction (XRD), Thermogravimetric Analysis (TGA) and nitrogen physisorption isotherms. All Fe-BTC MOF synthesized in this study showed improved textural properties compared to commercial Basolite F-300 such as higher crystallinity, higher surface area and larger pore size. It was found that the best synthesis method was by using the mixture of ethanol and water with equal volume ratio as solvent. The highest BET surface area of FeBTC synthesized using this method was 972 m2/g for FeBTC-EtOH/H2O. This value is 2.3 times higher than the surface area of commercial Basolite F-300 (418 m2/g). FeBTC with higher surface area is expected to have higher catalytic activity which makes this FeBTC an excellent candidate as a heterogenous catalyst for many reactions such as aldol condensation or esterification reaction. Copyright © 2024 by Authors, Published by BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

The effects of Sorghum bicolor leaf stalk (SBLS) on the bacterial quality of Ogi produced from maize (Zea mays)

Ogi is a staple food in Nigeria and other West African countries given its affordability and easy preparation it is largely consumed by many people. Ogi is used as a weaning food and given to the elderly and convalescent. Studies have shown that nutrients are lost during the production of Ogi. Hence, Ogi is fortified with Sorghum bicolor leaves stalk (SBLS) to prevent malnutrition despite the antibacterial activities of the SBLS extracts against some bacteria strains but little is known on the activity of the SBLS fortified Ogi on the bacterial, physicochemical quality and proximate composition of Ogi. This study aims to investigate the effect of SBLS on the bacterial quality and other physicochemical properties of Ogi. SBLS was added to Ogi during the secondary fermentation for seven days. Samples were taken at time 0, 1, 3, 5 and 7 days. The samples were analysed to determine the total titratable acidity, pH, temperature, proximate composition and bacteria compositions in Ogi fortified with SBLS using unfortified Ogi samples as control. The fortification of Ogi with SBLS significantly reduced the percentage moisture, crude fat and ash content compared to the unfortified Ogi. There were significant increase in percentage crude fiber and crude protein of Ogi fortified with SBLS compared to unfortified (p < 0.05). This research showed that Ogi fortified with SBLS prevented the growth of Bacillus subtilis compared to unfortified Ogi with SBLS. The addition of SBLS inhibits the growth of Bacillus subtilis and thus affects the bacterial quality of Ogi.

Effect of spent tea waste, compost and biochar on some growth parameters and concentration of nitrogen, phosphorus and potassium in spinach (Spinacia oleracea L.) under salinity stress

Salinity is a major environmental problem that adversely affects plant growth by increasing soil osmotic pressure and disrupting plant nutrition. Using organic amendments is a viable tool for reducing physiological and morphological effects of excessive soil salinity on plants. To show the impacts of tea waste, compost and biochar on nutrient status and growth parameters of spinach (Spinacia oleracea L.) raised in salinity conditions, this study has employed factorial CRD with two treatments involving soil salinity (2.5 and 8 dS m−1) and organic materials (spent tea waste (STW), spent tea waste compost (STWC) and spent tea waste biochar (STWB)) at 0 and 3% w/w in three replications. As soil salinity increased from 2.5 to 8 dS m−1, fresh weight and dry matter production decreased by 31.5% and 30.4%, respectively. Phosphorous and potassium concentrations in plant tissue also decreased significantly due to the increase in salinity. Organic amendments (except STW) due to their physicochemical properties increased the nutrients uptake and growth parameters of the plant. Compared to other amendments, biochar reduced salinity effects on plant growth more effectively, which is possibly due to its high nutrient adsorbing and water holding capacity. In saline conditions, the highest potassium to sodium ratio belonged to the biochar treatment, which was 3.22 and 2.78 times greater than spent tea waste and compost, respectively. Therefore, it was preferred to change the spent tea waste into biochar before being used as soil amendment.

Microporosity and Catalytic Activity for Hydrodesulfurization of Pharmacosiderite Mo4P3O16 Synthesized at a Moderate Temperature.

Pharmacosiderite Mo4P3O16 (Pharma-MoPO) consists of [Mo4O4] cubane unit and [PO4] tetrahedral to form an open framework with a microporous structure similar to that of LTA-type zeolite. Although attractive applications are expected due to its microporous structure and redox-active components, its physicochemical properties have been poorly investigated due to the specificity of its synthesis, which requires a high hydrothermal synthesis temperature of 360 °C. In this study, we succeeded in synthesizing Pharma-MoPO by hydrothermal synthesis at 230 °C, which can be applied using a commercially available autoclave by changing the metal source. Through the study of the solids and liquids obtained after hydrothermal syntheses, the formation process of Pharma-MoPO under our studied synthesis conditions was proposed. Advanced characterizations provided detailed structural information on Pharma-MoPO, including the location site of a countercation NH4+. Pharma-MoPO could adsorb CO2 with the amount close to the number of cages without removing NH4+. Pharma-MoPO exhibited stable catalytic activity for the hydrodesulfurization of thiophene while maintaining its crystal structure, except for the introduction of sulfide by replacing lattice oxygens. Pharmacosiderite Mo4P3O16 was successfully obtained by hydrothermal synthesis at a moderate temperature, and its microporosity for CO2 adsorption and catalytic properties for hydrodesulfurization were discovered.

Tumor Supplying Artery Injection of Liposome@Sunitinib Could Effectively Inhibit the Progression of Kidney Tumor.

Renal cell carcinoma (RCC) is one of the most common malignancies in the urinary system and is not sensitive to chemotherapy or radiotherapy in its advanced stages. Sunitinib is recommended as a first-line target drug for unresectable and metastatic RCC by targeting tyrosine kinase-related signaling pathways, but its therapeutic effect is unsatisfactory. Recently, nanomaterials have shown great prospects in the medical field because of their unique physicochemical properties. Particularly, liposomes are considered as ideal drug delivery systems due to their biodegradability, biocompatibility, and ideal drug-loading efficiency. Considering that tumor supplying artery injection can directly distribute drugs into tumor tissues, in this study, liposomes were employed to encapsulate water-insoluble sunitinib to construct the liposome@sunitinib (Lipo@Suni) complex, so that the drug could directly target and distribute into tumor tissue, and effectively trapped in tumor tissues after tumor supplying artery injection for the advantage of the physicochemical properties of liposomes, thereby achieving a better therapeutic effect on advanced RCC. Here, we found that compared with the peripheral intravenous administration, trans-renal arterial administration increases the content and prolongs the retention time of liposomes in tumor tissues; accordingly, more sunitinib is dispersed and retained in tumor tissues. Ultimately, trans-renal arterial administration of Lipo@Suni exerts a better suppressive effect on RCC progression than peripheral intravenous administration, even better than the conventional oral administration of sunitinib.

From PDB files to protein features: a comparative analysis of PDB bind and STCRDAB datasets.

Understanding protein structures is crucial for various bioinformatics research, including drug discovery, disease diagnosis, and evolutionary studies. Protein structure classification is a critical aspect of structural biology, where supervised machine learning algorithms classify structures based on data from databases such as Protein Data Bank (PDB). However, the challenge lies in designing numerical embeddings for protein structures without losing essential information. Although some effort has been made in the literature, researchers have not effectively and rigorously combined the structural and sequence-based features for efficient protein classification to the best of our knowledge. To this end, we propose numerical embeddings that extract relevant features for protein sequences fetched from PDB structures from popular datasets such as PDB Bind and STCRDAB. The features are physicochemical properties such as aromaticity, instability index, flexibility, Grand Average of Hydropathy (GRAVY), isoelectric point, charge at pH, secondary structure fracture, molar extinction coefficient, and molecular weight. We also incorporate scaling features for the sliding windows (e.g., k-mers), which include Kyte and Doolittle (KD) hydropathy scale, Eisenberg hydrophobicity scale, Hydrophilicity scale, Flexibility of the amino acids, and Hydropathy scale. Multiple-feature selection aims to improve the accuracy of protein classification models. The results showed that the selected features significantly improved the predictive performance of existing embeddings.

Unveiling the Potential of Ent-Kaurane Diterpenoids: Multifaceted Natural Products for Drug Discovery

Natural products hold immense potential for drug discovery, yet many remain unexplored in vast libraries and databases. In an attempt to fill this gap and meet the growing demand for effective drugs, this study delves into the promising world of ent-kaurane diterpenoids, a class of natural products with huge therapeutic potential. With a dataset of 570 ent-kaurane diterpenoids obtained from the literature, we conducted an in silico analysis, evaluating their physicochemical, pharmacokinetic, and toxicological properties with a focus on their therapeutic implications. Notably, these natural compounds exhibit drug-like properties, aligning closely with those of FDA-approved drugs, indicating a high potential for drug development. The ranges of the physicochemical parameters were as follows: molecular weights—288.47 to 626.82 g/mol; number of heavy atoms—21 to 44; the number of hydrogen bond donors and acceptors—0 to 8 and 1 to 11, respectively; the number of rotatable bonds—0 to 11; fraction Csp3—0.65 to 1; and TPSA—20.23 to 189.53 Ų. Additionally, the majority of these molecules display favorable safety profiles, with only 0.70%, 1.40%, 0.70%, and 46.49% exhibiting mutagenic, tumorigenic, reproduction-enhancing, and irritant properties, respectively. Importantly, ent-kaurane diterpenoids exhibit promising biopharmaceutical properties. Their average lipophilicity is optimal for drug absorption, while over 99% are water-soluble, facilitating delivery. Further, 96.5% and 28.20% of these molecules exhibited intestinal and brain bioavailability, expanding their therapeutic reach. The predicted pharmacological activities of these compounds encompass a diverse range, including anticancer, immunosuppressant, chemoprotective, anti-hepatic, hepatoprotectant, anti-inflammation, antihyperthyroidism, and anti-hepatitis activities. This multi-targeted profile highlights ent-kaurane diterpenoids as highly promising candidates for further drug discovery endeavors.

Evaluating How Different Drying Techniques Change the Structure and Physicochemical and Flavor Properties of Gastrodia elata

We evaluated the drying characteristics and structure, as well as the physicochemical and flavor properties, of G. elata treated by hot-air drying (HAD), vacuum drying (VD), freeze drying (FD), microwave drying (MD), and microwave vacuum drying (MVD). We found that MD and MVD showed the shortest drying times, while FD and MVD were able to better retain the active ingredients and color of the samples. However, the different drying methods did not change the internal structure of G. elata, and its main components did not fundamentally change. In addition, E-nose and HS-SPME-GC-MS effectively differentiated the volatile components, and 36 compounds were detected by HS-SPME-GC-MS. Of these samples, alcohols and aldehydes were the main substances identified. In particular, MVD samples possessed the most species of organic volatiles, but the FD method effectively eliminated pungent odors from the G. elata. Overall, MVD shows the most obvious advantages, improving drying rate while maintaining the original shape, color, and active components in G. elata. Ultimately, MVD is the preferred method to obtain high-quality dried G. elata, and our drying-method characterizations can be used to investigate similar structural and chemical changes to similar herbs in the future.