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1.
Langmuir ; 2024 Aug 12.
Article in English | MEDLINE | ID: mdl-39133573

ABSTRACT

Although the effectiveness of combustion catalysts promoting the combustion performance of solid propellant (SP) was identified in many research studies, its regulation on the temperature sensitivity coefficient of burning rate (δp) has been rarely explored, where SP with low δp is a big challenge with little progress. Herein, several ammonium perchlorate (AP)-enriched (>70 wt %) pomegranate-structured SP energetic particles (SPPs), AP/nitrocellulose (NC)/Al (SPP), SPP/CoWO4-rGO (SPP-Co), SPP/Bi2WO6-rGO (SPP-Bi), and SPP/CuCo2O4/GO (SPP-Cu), were prepared by the electrospray granulation method, tightly packaging AP with high-efficiency catalysts to promote its reactivity and reduce temperature sensitivity. The pressurization rates of SPPs in a constant volume combustion chamber at 50, 0, and -40 °C were obtained to determine δp. The burning rates of SPP-Co, SPP-Bi, and SPP-Cu loose strips are 0.319, 0.312, and 0.356 m/s, which are increased by 11.1%, 8.7%, and 24.0% compared to that of SPP (0.287 m/s), respectively. The peak pressures and pressurization rates of SPP-Co, SPP-Bi, and SPP-Cu at 0 °C are increased by 18.8%, 10.1%, and 9.1% and 62.3%, 67.1%, and 64.1% compared with SPP, respectively, indicating that these catalysts significantly accelerate the combustion process. Compared with SPP, the δp of SPP-Co, SPP-Bi, and SPP-Cu decreased by 26.6%, 60.6%, and 24.7% at 0-50 °C and 19.5%, 61.6%, and 27.6% at -40-0 °C, respectively. It suggests that the Bi2WO6-rGO catalyst reduces the δp by 61% at -40-50 °C, exhibiting the optimal δp regulation performance. This research introduces a novel approach to lower the δp from the chemical by tightly packaging temperature-sensitive AP with high-efficiency catalysts.

2.
Article in English | MEDLINE | ID: mdl-39149773

ABSTRACT

AlH3 has gained considerable attention as a fuel additive due to its ability to offer high specific impulse and superior combustion performance. However, few studies have focused on the fragmentation and agglomeration behavior of AlH3. This study investigated the effects of fragmentation of AlH3 and AlH3/PVDF particles on the thermal decomposition, ignition, agglomeration, and combustion of HTPB propellants. Thermal analysis indicated that AlH3 and AlH3/PVDF can accelerate the decomposition of ammonium perchlorate by abundant active sites for the adsorption of the decomposition intermediates. Single-particle combustion uncovered the mechanism behind the directional spray of molten Al from the AlH3 particle and the fragmentation of the AlH3/PVDF particle. The melting of porous Al induces particle shrinkage due to solid-liquid interfacial tension and the structural restoration of the oxide shell, which consequently results in the sealing of cracks in the oxide shell of AlH3. Additionally, the accumulation of internal tensile stress leads to the reopening of these cracks and the directional ejection of the molten Al. The flexible oxide shell contributes to a smaller minimum normalized diameter of the AlH3/PVDF particle, aiding in the generation of internal tensile stress, while the sublimation of AlF3 induced the fragmentation. Synchrotron-based X-ray imaging revealed the formation of aggregates promoted by molten Al, the splitting of AlH3 aggregates due to hydrogen explosion, and the enhanced fragmentation of AlH3/PVDF due to the synergistic effect of hydrogen explosion and the sublimation of AlF3. Compared to raw particles, the CCPs (condensed combustion products) of SP2 propellant display a 48% reduction in average size (D50 = 24.5 µm), whereas there is an over 89% decrease in particle size for the CCPs of SP3 propellant (D50 = 5.14 µm). This study contributes to understanding the fragmentation of AlH3 and AlH3/PVDF upon ignition and combustion, providing valuable insights for the development and optimization of propellants containing AlH3.

3.
Small Methods ; : e2400585, 2024 Aug 11.
Article in English | MEDLINE | ID: mdl-39128136

ABSTRACT

Organic molecule-doped n-type single-walled carbon nanotube (SWCNT) networks are promising candidates for advanced energy applications, such as flexible thermoelectrics and photovoltaics. Yet charge transport in n-type SWCNTs is limited by two factors: i) charge localization impeding inter-tube transport caused by disordered mesostructure of randomly oriented SWCNTs and ii) reduction of charge carrier concentration driven by oxidation. Herein, studied the relationship between the mesostructure and thermoelectric properties of n-type SWCNTs obtained by surfactant-functionalization and polymer-dopant grafting. Surprisingly, the electrical conductivity of the polymer-doped SWCNTs keeps increasing with increasing polymer content, even after the saturation of carrier concentration, resulting in 12x higher conductivity on polymer-doping compared to surfactant-functionalization. While hopping transport typically dominates in disordered systems, it is shown that a bridging effect from the polymer causes unusual band-like conduction in polymer-doped SWCNTs. Additionally, since surfactants are essential to prevent oxidation and retain n-type over a long duration, shows that SWCNTs obtained through a dual-functionalization strategy using both polymer-dopant and surfactant, demonstrates a long-term stable high n-type thermoelectric power factor, when the surfactant amount is carefully controlled. Besides thermoelectrics, the findings are of general interest to developing stable and conductive n-type SWCNTs for various energy and electronic applications.

4.
Int J Biol Macromol ; 277(Pt 1): 134121, 2024 Jul 23.
Article in English | MEDLINE | ID: mdl-39053821

ABSTRACT

To investigate the mechanism of lignin degradation during sesame roasting, structural transformations of milled wood lignin (MWL) from sesame seed hull samples roasted at 190-250 °C for 30 min were investigated. The findings revealed that, with increasing temperature, the degradation extent of carbohydrates from lignin carbohydrate complex in the fractions deepened, which reduced total sugar content (from 8.59 % to 0.45 %). Compared to that of the original sesame seed hull lignin (LSSH), the molecular weight of MWL fractions showed a tendency to decline (Mw 4377-2235 Da) with the rise of roasting temperature (210-250 °C). During roasting, lignins in the sesame seed hull underwent degradation and condensation. Due to demethoxylation, the H-type lignin proportion increased from 2.7 % to 26.1 %. Compared to G- and C-type lignin, S-type lignin was more stable. The ß-O-4 linkages decreased from 5.8 to 1.2/100 Ar due to CO bond breaking, and ß-ß linkages from 26.3 to 9.6/100 Ar decreased due to condensation of CC. As the roasting temperature increased, more chemical bonds between lignin structural units were broken, resulting in the generation of more phenolic hydroxyl groups (1.80-2.53 mmol/g). This study helps to elucidate the contribution of lignin degradation during roasting to the oxidative stability of sesame oil.

5.
Nat Commun ; 15(1): 4904, 2024 Jun 08.
Article in English | MEDLINE | ID: mdl-38851828

ABSTRACT

Age-related depletion of stem cells causes tissue degeneration and failure to tissue regeneration, driving aging at the organismal level. Previously we reported a cell-non-autonomous DAF-16/FOXO activity in antagonizing the age-related loss of germline stem/progenitor cells (GSPCs) in C. elegans, indicating that regulation of stem cell aging occurs at the organ system level. Here we discover the molecular effector that links the cell-non-autonomous DAF-16/FOXO activity to GSPC maintenance over time by performing a tissue-specific DAF-16/FOXO transcriptome analysis. Our data show that dos-3, which encodes a non-canonical Notch ligand, is a direct transcriptional target of DAF-16/FOXO and mediates the effect of the cell-non-autonomous DAF-16/FOXO activity on GSPC maintenance through activating Notch signaling in the germ line. Importantly, expression of a human homologous protein can functionally substitute for DOS-3 in this scenario. As Notch signaling controls the specification of many tissue stem cells, similar mechanisms may exist in other aging stem cell systems.


Subject(s)
Caenorhabditis elegans Proteins , Caenorhabditis elegans , Forkhead Transcription Factors , Germ Cells , Receptors, Notch , Signal Transduction , Stem Cells , Animals , Caenorhabditis elegans/metabolism , Caenorhabditis elegans/genetics , Caenorhabditis elegans Proteins/metabolism , Caenorhabditis elegans Proteins/genetics , Forkhead Transcription Factors/metabolism , Forkhead Transcription Factors/genetics , Germ Cells/metabolism , Receptors, Notch/metabolism , Receptors, Notch/genetics , Stem Cells/metabolism , Stem Cells/cytology , Aging/metabolism , Aging/genetics , Humans
6.
Diagn Pathol ; 19(1): 74, 2024 Jun 07.
Article in English | MEDLINE | ID: mdl-38849857

ABSTRACT

BACKGROUND: Polyneuropathy, organomegaly, endocrinopathy, M-protein, and skin changes (POEMS) syndrome is a rare plasma cell (PC) neoplasm with associated paraneoplastic syndrome. According to the current diagnostic criteria, peripheral polyneuropathy and monoclonal PC proliferative disorder represent two mandatory criteria. CASE PRESENTATION: We report a 54-year-old male with peripheral neuropathy of bilateral lower limbs, sclerotic bone lesions, elevated vascular endothelial growth factor (VEGF) levels, splenomegaly, extravascular volume overload, endocrinopathy, and skin hemangiomas. Of note, serum and urine protein electrophoresis (PEP) and immunofixation electrophoresis (IFE) of this patient indicated undetectable M-protein and the normal ratio of free light chains κ and λ (FLC-R (κ/λ)). No monoclonal PCs were found in bone marrow examinations or biopsy of diseased bones. However, his clinical manifestations matched most of the diagnostic criteria. After excluding other diseases that are easily confused with POEMS syndrome, the diagnosis of variant POEMS syndrome with undetectable M-protein was proposed. The patient obtained clinically significant improvement and elevated VEGF returned to normal after 6 months of treatment with lenalidomide plus dexamethasone. CONCLUSIONS: Monoclonal PC dyscrasia (M-protein) while being a mandatory criterion for POEMS syndrome is undetectable in a considerable amount of patients that otherwise demonstrate typical symptoms. Here, we reported a case of variant POEMS syndrome with featured clinical manifestations, elevated VEGF levels, and good response to therapies targeting PCs but no evidence of M-protein. Therefore, negative results in M-protein and monoclonal PCs aren't enough to reject the diagnosis of POEMS syndrome. It is imperative to recognize the variant form of POEMS syndrome.


Subject(s)
POEMS Syndrome , Humans , POEMS Syndrome/diagnosis , POEMS Syndrome/pathology , Male , Middle Aged , Lenalidomide/therapeutic use , Thalidomide/therapeutic use , Thalidomide/analogs & derivatives , Vascular Endothelial Growth Factor A , Dexamethasone/therapeutic use , Treatment Outcome , Myeloma Proteins/analysis
7.
Phytopathology ; : PHYTO04240125R, 2024 Aug 05.
Article in English | MEDLINE | ID: mdl-38810265

ABSTRACT

Dioscorea opposita cultivar Tiegun is an economically important crop with high nutritional and medicinal value. Plants can activate complex and diverse defense mechanisms after infection by pathogenic fungi. Moreover, endophytic fungi can also trigger the plant immune system to resist pathogen invasion. However, the study of the effects of endophytic fungi on plant infection lags far behind that of pathogenic fungi, and the underlying mechanism is not fully understood. Here, the black spot pathogen Alternaria alternata and the endophytic fungus Penicillium halotolerans of Tiegun were identified and used to infect calli. The results showed that A. alternata could cause more severe membrane lipid peroxidation, whereas P. halotolerans could rapidly increase the activity of the plant antioxidant enzymes superoxide dismutase, peroxidase, and catalase; thus, the degree of damage to the callus caused by P. halotolerans was weaker than that caused by A. alternata. RNA sequencing analysis revealed that various plant defense pathways, such as phenylpropanoid biosynthesis, flavonoid biosynthesis, plant hormone signal transduction, and the mitogen-activated protein kinase signaling pathway, play important roles in triggering the plant immune response during fungal infection. Furthermore, the tryptophan metabolism, betalain biosynthesis, fatty acid degradation, flavonoid biosynthesis, tyrosine metabolism, and isoquinoline alkaloid biosynthesis pathways may accelerate the infection of pathogenic fungi, and the ribosome biogenesis pathway in eukaryotes may retard the damage caused by endophytic fungi. This study lays a foundation for exploring the infection mechanism of yam pathogens and endophytic fungi and provides insight for effective fungal disease control in agriculture.

8.
J Food Sci ; 89(6): 3494-3505, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38700357

ABSTRACT

The abilities of Chinese quince free proanthocyanidins (FP) and bound proanthocyanidins (BP) at different levels (0.1%, 0.15%, and 0.3%) to mitigate heterocyclic aromatic amine (HAA) formation in fried chicken patties were investigated for the first time and compared with vitamin C (Vc). FP and BP reduced HAAs in a dose-dependent manner. Significantly, high concentrations of FP (0.3%) resulted in a reduction of PhIP, harman, and norharman levels by 59.84%, 22.91%, and 38.21%, respectively, in chicken patties. The addition of proanthocyanidins significantly (p < 0.05) reduced the weight loss of fried chicken patties. Furthermore, a positive correlation was observed among pH, weight loss, and total HAA formation in all three groups (FP, BP, and Vc). Multivariate analysis showed that FP had a more pronounced effect than BP from the perspective of enhancing the quality of fried chicken patties and reducing the formation of HAAs. These results indicate that proanthocyanidins, both BP and FP, but especially FP, from Chinese quince can inhibit the formation of carcinogenic HAAs when added to protein-rich foods that are subsequently fried.


Subject(s)
Amines , Chickens , Cooking , Proanthocyanidins , Proanthocyanidins/analysis , Proanthocyanidins/pharmacology , Animals , Amines/chemistry , Cooking/methods , Heterocyclic Compounds/chemistry , Rosaceae/chemistry , East Asian People
9.
J Food Sci ; 89(6): 3759-3775, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38706376

ABSTRACT

Heterocyclic amines (HCAs) have potential carcinogenic and mutagenic activity and are generated in cooked protein-rich foods. Adding proanthocyanidins (PAs) to these foods before frying is an effective way to reduce HCAs. In this study, polymeric PAs (PPA) and ultrasound-assisted acid-catalyzed/catechin nucleophilic depolymerized PAs (UAPA, a type of oligomeric PA) were prepared from Chinese quince fruits (CQF). Different levels of PPA and UAPA (0.05%, 0.1%, and 0.15%) were added to chicken meatballs and tofu; then these foods were fried, and the content of HCAs in them after frying was investigated. The results showed that PPA and, particularly, UAPA significantly inhibited the formation of HCAs in fried meatballs and tofu, and this inhibition was dose-dependent. The inhibition of HCAs by both PPA and UAPA was stronger in the chicken meatballs than in fried tofu. The level of total HCAs was significantly reduced by 57.84% (from 11.93 to 5.03 ng/g) after treatment of meatballs with 0.15% UAPA, with inhibition rates of 78.94%, 50.37%, and 17.81% for norharman, harman, and 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP), respectively. Of note, there was a negative correlation between water, lipid, protein, creatine, and glucose content and HCA content in the crust, interior, and whole (crust-plus-interior) measurements of all fried samples. Interestingly, PPA and UAPA were found more effective in inhibiting HCAs in the exterior crust than in the interior of the fried chicken meatballs. These results provide evidence that further studies on the reduction of the formation of harmful HCAs in fried foods by adding CQF PAs could be valuable to the fried food industry. PRACTICAL APPLICATION: Chinese quince proanthocyanidins treatments significantly inhibited the generation of heterocyclic amines (HCAs) in chicken meatballs and tofu when deep-fried. These results suggest that Chinese quince proanthocyanidins can be used as natural food additive for reducing HCAs in fried foods, laying the foundation for using Chinese quince fruit proanthocyanidins for HCA inhibition in the food industry.


Subject(s)
Amines , Chickens , Cooking , Proanthocyanidins , Proanthocyanidins/pharmacology , Proanthocyanidins/analysis , Animals , Cooking/methods , Amines/chemistry , Fruit/chemistry , Meat Products/analysis , Heterocyclic Compounds/chemistry , Heterocyclic Compounds/analysis , Hot Temperature , East Asian People
10.
ACS Omega ; 9(20): 22386-22397, 2024 May 21.
Article in English | MEDLINE | ID: mdl-38799314

ABSTRACT

Salidroside, a valuable phenylethanoid glycoside, is obtained from plants belonging to the Rhodiola genus, known for its diverse biological properties. At present, salidroside is still far from large-scale industrial production due to its lower titer and higher process cost. In this study, we have for the first time increased salidroside production by enhancing UDP-glucose supply in situ. We constructed an in vivo UDP-glucose regeneration system that works in conjunction with UDP-glucose transferase from Rhodiola innovatively to improve UDP-glucose availability. And a coculture was formed in order to enable de novo salidroside synthesis. Confronted with the influence of tyrosol on strain growth, an adaptive laboratory evolution strategy was implemented to enhance the strain's tolerance. Similarly, salidroside production was optimized through refinement of the fermentation medium, the inoculation ratio of the two microbes, and the inoculation size. The final salidroside titer reached 3.8 g/L. This was the highest titer achieved at the shake flask level in the existing reports. And this marked the first successful synthesis of salidroside in an in situ enhanced UDP-glucose system using sucrose. The cost was reduced by 93% due to the use of inexpensive substrates. This accomplishment laid a robust foundation for further investigations into the synthesis of other notable glycosides and natural compounds.

11.
Int J Biol Macromol ; 269(Pt 2): 132216, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38729483

ABSTRACT

Agricultural by-products of sesame are promising bioresources in food processing. This study extracted lignin from the by-products of sesame oil production, namely, the capsules and straw of black and white sesame. Using acid, alkali, and ethanol methods, 12 distinct lignins were obtained to prepare biochar, aiming to investigate both the structural characteristics of lignin-based biochar (LBB) and its ability to remove benzo[a]pyrene (BaP) from sesame oil. The results showed that white sesame straw was the most suitable raw material for preparing biochar. In terms of the preparation method, acid-extracted lignin biochar was more effective in removing BaP than alkaline or ethanol methods. Notably, WS-1LB (white sesame straw acid-extracted lignin biochar) exhibited the highest BaP adsorption efficiency (91.44 %) and the maximum specific surface area (1065.8187 m2/g), characterized by porous structures. The pseudo 2nd and Freundlich models were found to be the best fit for the adsorption kinetics and isotherms of BaP on LBB, respectively, suggesting that a multilayer adsorption process was dominant. The high adsorption of LBB mainly resulted from pore filling. This study provides an economical and highly efficient biochar adsorbent for the removal of BaP in oil.


Subject(s)
Charcoal , Lignin , Sesame Oil , Lignin/chemistry , Charcoal/chemistry , Adsorption , Sesame Oil/chemistry , Benzo(a)pyrene/chemistry , Kinetics
12.
Front Bioeng Biotechnol ; 12: 1392414, 2024.
Article in English | MEDLINE | ID: mdl-38605985

ABSTRACT

Succinic acid (SA), one of the 12 top platform chemicals produced from biomass, is a precursor of various high value-added derivatives. Specially, 1 mol CO2 is assimilated in 1 mol SA biosynthetic route under anaerobic conditions, which helps to achieve carbon reduction goals. In this review, methods for enhanced CO2 fixation in SA production and utilization of waste biomass for SA production are reviewed. Bioelectrochemical and bioreactor coupling systems constructed with off-gas reutilization to capture CO2 more efficiently were highlighted. In addition, the techno-economic analysis and carbon sequestration benefits for the synthesis of bio-based SA from CO2 and waste biomass are analyzed. Finally, a droplet microfluidics-based high-throughput screening technique applied to the future bioproduction of SA is proposed as a promising approach.

13.
Plant Dis ; : PDIS01240169RE, 2024 Aug 02.
Article in English | MEDLINE | ID: mdl-38549276

ABSTRACT

Yam is an important medicinal and edible dual-purpose plant with high economic value. However, nematode damage severely affects its yield and quality. One of the major effects of nematode infestations is the secondary infection of pathogenic bacteria or fungi through entry wounds made by the nematodes. Understanding the response of the symbiotic microbial community of yam plants to nematodes is crucial for controlling such a disease. In this study, we investigated the rhizosphere and how endophytic microbiomes shift after nematode infection during the tuber expansion stage in the Dioscorea opposita Thunb. cultivar Tiegun. Our results revealed that soil depth affected the abundance of nematodes, and the relative number of Meloidogyne incognita was higher in the diseased soil at a depth of 16 to 40 cm than those at a depth of 0 to 15 and 41 to 70 cm. The abundance of and interactions among soil microbiota members were significantly correlated with root-knot nematode (RKN) parasitism at various soil depths. However, the comparison of the microbial α-diversity and composition between healthy and diseased rhizosphere soil showed no difference. Compared with healthy soils, the co-occurrence networks of M. incognita-infested soils included a higher ratio of positive correlations linked to plant health. In addition, we detected a higher abundance of certain taxonomic groups belonging to Chitinophagaceae and Xanthobacteraceae in the rhizosphere of RKN-infested plants. The nematodes, besides causing direct damage to plants, also possess the ability to act synergistically with other pathogens, especially Ramicandelaber and Fusarium, leading to the development of disease complexes. In contrast to soil samples, RKN parasitism specifically had a significant effect on the composition and assembly of the root endophytic microbiota. The RKN colonization impacted a wide variety of endophytic microbiomes, including Pseudomonas, Sphingomonas, Rhizobium, Neocosmospora, and Fusarium. This study revealed the relationship between RKN disease and changes in the rhizosphere and endophytic microbial community, which may provide novel insights that help improve biological management of yam RKNs.

14.
Int J Biol Macromol ; 266(Pt 1): 131208, 2024 May.
Article in English | MEDLINE | ID: mdl-38552695

ABSTRACT

In this study, three activators and two activation methods were employed to activate sesame lignin-based biochar. The biochar samples were comprehensively characterized, their abilities to adsorb benzo[a]pyrene (BaP) from sesame oil were assessed, and the mechanism was analyzed. The results showed that the biochar obtained by one-step activation was more effective in removing BaP from sesame oil than the biochar produced by two-step activation. Among them, the biochar generated by one-step activation with ZnCl2 as the activator had the largest specific surface area (1068.8776 m3/g), and the richest mesoporous structure (0.7891 m3/g); it removed 90.53 % of BaP from sesame oil. BaP was mainly adsorbed by the mesopores of biochar. Mechanistically, pore-filling, π-π conjugations, hydrogen bonding, and n-π interactions were involved. The adsorption was spontaneous and heat-absorbing. In conclusion, the preparation of sesame lignin biochar using one-step activation with ZnCl2 as the activator was found to be the best for removing BaP from sesame oil. This biochar may be an economical adsorbent for the industrial removal of BaP from sesame oil.


Subject(s)
Benzo(a)pyrene , Charcoal , Lignin , Sesame Oil , Sesamum , Charcoal/chemistry , Lignin/chemistry , Benzo(a)pyrene/chemistry , Adsorption , Sesame Oil/chemistry , Sesamum/chemistry , Zinc Compounds/chemistry , Chlorides/chemistry
15.
Int J Biol Macromol ; 264(Pt 2): 130718, 2024 Apr.
Article in English | MEDLINE | ID: mdl-38460651

ABSTRACT

Chinese quince fruits (Chaenomeles sinensis) contain substantial amounts of lignin; however, the exact structure of lignin remains to be investigated. In this study, milled wood lignins (Milled wood lignin (MWL)-1, MWL-2, MWL-3, MWL-4, MWL-5, and MWL-6) were extracted from fruits harvested once a month from May to October 2019 to investigate their structural evolution during fruit growth. The samples were characterized via High-performance anion exchange chromatography (HPAEC), Fourier transform-infrared spectroscopy (FT-IR), gel permeation chromatography (GPC), thermogravimetric (TGA), pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) and NMR (2D-heteronuclear single quantum coherence (HSQC) and 31P). The MWL samples in all fruit growth stages were GS-type lignin and lignin core undergoing minimal alterations during fruit development. The predominant linkage in the lignin structure was ß-O-4', followed by ß-ß' and ß-5'. Galactose and glucose were the main monosaccharides associated with MWL. In MWL-6, the lignin exhibited the highest homogeneity and thermal stability. As the fruit matured, a gradual increase in the ß-O-4' proportion and the ratio of S/G was observed. The results provide comprehensive characterization of the cell wall lignin of quince fruit as it matures. This study could inspire innovative applications of quince fruit lignin and provide the optimal harvest time for lignin utilization.


Subject(s)
Lignin , Rosaceae , Lignin/chemistry , Fruit/chemistry , Spectroscopy, Fourier Transform Infrared , Rosaceae/chemistry , Wood/chemistry , China
16.
J Chem Theory Comput ; 20(10): 4229-4238, 2024 May 28.
Article in English | MEDLINE | ID: mdl-38400860

ABSTRACT

Carbon monoxide (CO) is a byproduct of the incomplete combustion of carbon-based fuels, such as wood, coal, gasoline, or natural gas. As incomplete combustion in a fire accident or in an engine, massively produced CO leads to a serious life threat because CO competes with oxygen (O2) binding to hemoglobin and makes people suffer from hypoxia. Although there is hyperbaric O2 therapy for patients with CO poisoning, the nanoscale mechanism of CO dissociation in the O2-rich environment is not completely understood. In this study, we construct the classical force field parameters compatible with the CHARMM for simulating the coordination interactions between hemoglobin, CO, and O2, and use the force field to reveal the impact of O2 on the binding strength between hemoglobin and CO. Density functional theory and Car-Parrinello molecular dynamics simulations are used to obtain the bond energy and equilibrium geometry, and we used machine learning enabled via a feedforward neural network model to obtain the classical force field parameters. We used steered molecular dynamics simulations with a force field to characterize the mechanical strength of the hemoglobin-CO bond before rupture under different simulated O2-rich environments. The results show that as O2 approaches the Fe2+ of heme at a distance smaller than ∼2.8 Å, the coordination bond between CO and Fe2+ is reduced to 50% bond strength in terms of the peak force observed in the rupture process. This weakening effect is also shown by the free energy landscape measured by our metadynamics simulation. Our work suggests that the O2-rich environment around the hemoglobin-CO bond effectively weakens the bonding, so that designing of O2 delivery vector to the site is helpful for alleviating CO binding, which may shed light on de novo drug design for CO poisoning.


Subject(s)
Carbon Monoxide , Hemoglobins , Molecular Dynamics Simulation , Oxygen , Carbon Monoxide/chemistry , Carbon Monoxide/metabolism , Oxygen/chemistry , Oxygen/metabolism , Hemoglobins/chemistry , Hemoglobins/metabolism , Density Functional Theory , Humans , Protein Binding
17.
Food Chem ; 444: 138642, 2024 Jun 30.
Article in English | MEDLINE | ID: mdl-38325088

ABSTRACT

Chinese quince (Chaenomeles sinensis) fruit is an underutilized resource, rich in proanthocyanidins with antioxidant ability but poor lipid solubility. In this study, a novel modified oligomeric proanthocyanidin (MOPA) was prepared, which exhibited favorable lipid solubility (354.52 mg/100 g). It showed higher radical scavenging abilities than commercial antioxidant-BHA (butylated hydroxyanisole), both at 0.4-0.5 mg/mL. The addition of MOPA (0.04 %wt.) significantly increased the oxidative stability index of the soybean oil from 5.52 to 8.03 h, which was slightly lower than that of BHA (8.35 h). Analysis of the physicochemical properties and composition of oil during deep-frying showed that MOPA demonstrated significant antioxidant effects and effectively restricted the oil oxidation. This inhibition also delays the formation of heterocyclic amines (HAs) in fried food, thereby reducing the migration of HAs from food to deep-frying oil. Therefore, MOPA is a promising novel liposoluble antioxidant for protecting the quality of deep-frying oil.


Subject(s)
Phenylacetates , Proanthocyanidins , Rosaceae , Antioxidants/chemistry , Soybean Oil/chemistry , China
18.
Biomater Sci ; 12(7): 1662-1692, 2024 Mar 26.
Article in English | MEDLINE | ID: mdl-38411151

ABSTRACT

Traditional Chinese medicine (TCM) is a combination of raw herbs and herbal extracts with a plethora of documented beneficial bioactivities, which has unique advantages in anti-tumor therapy, and many of its major bioactive molecules have been identified in recent years due to advances in chemical separation and structural analysis. However, the major chemical classes of plant-derived bioactive compounds frequently possess chemical properties, including poor water solubility, stability, and bioavailability, that limit their therapeutic application. Alternatively, natural small molecules (NSMs) containing these components possess modifiable groups, multiple action sites, hydrophobic side chains, and a rigid skeleton with self-assembly properties that can be exploited to construct self-assembled nanoparticles with therapeutic effects superior to their individual constituents. For instance, the construction of a self-assembled nanodrug delivery system can effectively overcome the strong hydrophobicity and poor in vivo stability of NSMs, thereby greatly improving their bioavailability and enhancing their anti-tumor efficacy. This review summarizes the self-assembly methods, mechanisms, and applications of a variety of NSMs, including terpenoids, flavonoids, alkaloids, polyphenols, and saponins, providing a theoretical basis for the subsequent research on NSMs and the development of SANDDS.


Subject(s)
Antineoplastic Agents , Drugs, Chinese Herbal , Medicine, Chinese Traditional/methods , Drugs, Chinese Herbal/chemistry , Polyphenols
19.
Eur J Med Chem ; 267: 116166, 2024 Mar 05.
Article in English | MEDLINE | ID: mdl-38281455

ABSTRACT

Following nearly two decades of development, significant advancements have been achieved in PROTAC technology. As of the end of 2022, more than 20 drugs have entered clinical trials, with ARV-471 targeting estrogen receptor (ER) showing remarkable progress by entering phase III clinical studies. In 2022, significant progress has been made on multiple targets. The first reversible covalent degrader designed to target the KRASG12C mutant protein, based on cyclopropionamide, has been reported. Additionally, the activity HDCA1 degrader surpassed submicromolar levels during the same year. A novel FEM1B covalent ligand called EN106 was also discovered, expanding the range of available ligands. Furthermore, the first PROTAC drug targeting SOS1 was reported. Additionally, the first-in-class degraders that specifically target BRD4 isoforms (BRD4 L and BRD4 S) have recently been reported, providing a valuable tool for further investigating the biological functions of these isoforms. Lastly, a breakthrough was also achieved with the first degrader targeting both CDK9 and Cyclin T1. In this review, we aimed to update the PROTAC degraders as potential anticancer agents covering articles published in 2022. The design strategies, degradation effects, and anticancer activities were highlighted, which might provide an updated sight to develop novel PROTAC degraders with great potential as anticancer agents as well as favorable drug-like properties.


Subject(s)
Antineoplastic Agents , Nuclear Proteins , Transcription Factors , Antineoplastic Agents/pharmacology , Estrogen Antagonists , Protein Isoforms , Proteolysis
20.
Adv Mater ; 36(3): e2308159, 2024 Jan.
Article in English | MEDLINE | ID: mdl-37831921

ABSTRACT

The sequential deposition process has demonstrated the great possibility to achieve a photolayer architecture with an ideal gradient phase separation morphology, which has a vital influence on the physical processes that determine the performance of organic solar cells (OSCs). However, the controllable preparation of pseudo-planar heterojunction (P-PHJ) with gradient distribution has not been effectively elucidated. Herein, a binary-dilution strategy is proposed, the PM6 solution with micro acceptor BO-4Cl and the L8-BO solution with micro donor PM6 respectively, to form P-PHJ film. This architecture exists good donor (D) and acceptor (A) vertical gradient distribution and larger D/A interpenetrating regions, which promotes exciton generation and dissociation, shortens charge transport distance and optimizes carrier dynamics. Moreover, the dilution of PM6 by BO-4Cl promotes the regulation of active layer aggregation size and phase purity, thus alleviating energy disorder and voltage loss. As a result, the P-PHJ device exhibits an outstanding power conversion efficiency of 19.32% with an excellent short-circuit current density of 26.92 mA cm-2 , much higher than planar binary heterojunction (17.67%) and ternary bulk heterojunction (18.49%) devices. This research proves a simple but effective method to provide an avenue for constructing desirable active layer morphology and high-performance OSCs.

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