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1.
J Environ Sci (China) ; 150: 362-372, 2025 Apr.
Article in English | MEDLINE | ID: mdl-39306412

ABSTRACT

As a widely used fertilizer, urea significantly promotes the leaching of dissolved organic nitrogen (DON) in soils and aggravates nitrogen contamination in groundwater. Clay minerals are considered the most important factor in retaining DON. However, the effect of urea on the retention of DON with different molecular weights by clay minerals is unknown. In this study, the retention of both low-molecular weight DON (LMWD) and high-molecular weight DON (HMWD) by clay minerals in the presence of urea was investigated. For this purpose, batch adsorption and soil column leaching experiments, characterization analysis (Fourier transform infrared spectroscopy X-ray diffraction, and X-ray photoelectron spectroscopy), and molecular dynamics simulations were carried out. Urea had a positive effect on the adsorption of LMWD, whereas a competitive effect existed for the adsorption of HMWD. The dominant interactions among DON, urea, and clay minerals included H-bonding, ligand exchange, and cation exchange. The urea was preferentially adsorbed on clay minerals and formed a complex, which provided more adsorption sites to LMWD and only a few to HMWD. The presence of urea increased the retention of LMWD and decreased the retention of HMWD in clay minerals. The retention capacity of LMWD increased by 6.9%-12.8%, while that of HMWD decreased by 6.7%-53.1%. These findings suggest that LMWD tended to be trapped in soils, while HMWD was prone to be leached into groundwater, which can be used to evaluate the leaching of DON from soil to groundwater.


Subject(s)
Clay , Nitrogen , Soil , Urea , Urea/chemistry , Clay/chemistry , Soil/chemistry , Nitrogen/chemistry , Nitrogen/analysis , Adsorption , Molecular Weight , Minerals/chemistry , Soil Pollutants/chemistry , Soil Pollutants/analysis , Models, Chemical , Fertilizers/analysis , Aluminum Silicates/chemistry
2.
Phys Chem Chem Phys ; 26(37): 24564-24576, 2024 Sep 25.
Article in English | MEDLINE | ID: mdl-39268710

ABSTRACT

Transforming growth factor ß type 1 receptor (TGFßR1), a crucial serine-threonine kinase, is central to the TGFß/Smad signaling pathway, governing cellular processes like growth, differentiation, apoptosis, and immune response. This pathway is closely linked to the epithelial-mesenchymal transition (EMT) process, which plays an important role in the metastasis of hepatocellular carcinoma (HCC). To date, only limited inhibitors targeting TGFßR1 have entered clinical trials, yet they encounter challenges, notably high toxicity, in clinical applications. Herein, an efficient virtual screening pipeline was developed. Eighty compounds were screened from a pool of over 17 million molecules based on docking scores and binding free energy. Four compounds were manually selected with the assistance of enhanced sampling method BPMD (binding pose metadynamics). The binding stability of these four compounds complexed with TGFßR1 was subsequently studied through long-timescale conventional molecular dynamics simulations. The three most promising compounds were subjected to in vitro bioactivity assays. Cpd272 demonstrated moderate inhibitory activity against TGFßR1, with an IC50 value of 1.57 ± 0.33 µM. Moreover, it exhibited cytotoxic effects on human hepatocellular carcinoma cell line Bel-7402. By shedding light on the binding mode of the receptor-ligand complexes, Cpd272 was identified as a hit compound featuring a novel urea-based scaffold capable of effectively inhibiting TGFßR1.


Subject(s)
Molecular Dynamics Simulation , Receptor, Transforming Growth Factor-beta Type I , Urea , Humans , Receptor, Transforming Growth Factor-beta Type I/antagonists & inhibitors , Receptor, Transforming Growth Factor-beta Type I/metabolism , Receptor, Transforming Growth Factor-beta Type I/chemistry , Urea/chemistry , Urea/pharmacology , Urea/analogs & derivatives , Molecular Docking Simulation , Drug Discovery , Protein Kinase Inhibitors/chemistry , Protein Kinase Inhibitors/pharmacology , Cell Line, Tumor , Liver Neoplasms/drug therapy , Liver Neoplasms/metabolism , Liver Neoplasms/pathology , Antineoplastic Agents/chemistry , Antineoplastic Agents/pharmacology , Carcinoma, Hepatocellular/drug therapy , Carcinoma, Hepatocellular/metabolism , Carcinoma, Hepatocellular/pathology
3.
PeerJ ; 12: e18103, 2024.
Article in English | MEDLINE | ID: mdl-39329138

ABSTRACT

Commercial dairy production occurs in a complex management environment, but increasingly, the dairy manager is expected to provide detailed reporting of productivity and environmental outcomes, for which conventional research methods double-blind crossover or case:control trials are inappropriate. This paper demonstrates the development of a milk protein production monitoring tool using a temporal (baseline) control in longitudinal, census-type investigations of modulation of system performance in response to factor change. It utilises farm-derived current and historical data, and contrasts seasonal responses with those achieved on neighbouring farms in a 2 × 2 contingency table. The approach is then shown to be useful in assessing the effect of two approaches to moderating milk urea concentration. Firstly, milk urea content can be monitored as it falls due to reduced feed protein content, and this fall can be arrested when milk protein content starts to decline relative to the value expected for the herd at any lactation stage. Secondly, by providing a dietary intervention aimed at increasing the availability of metabolic energy in the last month before calving, udder development can be augmented, leading to greater protein secretion capacity, meaning greater utilisation of circulating amino acids, and thus more limited substrate for urea synthesis. Thus, the changing impact of differing nutrition practices on dairy herd nitrogen excretion to environment can be followed with daily precision. In principle this approach can provide useful insights into a wide range of practical management interventions.


Subject(s)
Dairying , Milk Proteins , Milk , Urea , Animals , Dairying/methods , Milk Proteins/analysis , Milk Proteins/metabolism , Cattle , Milk/chemistry , Milk/metabolism , Urea/metabolism , Female , Lactation/metabolism , Animal Feed/analysis , Seasons
4.
BMC Oral Health ; 24(1): 1089, 2024 Sep 14.
Article in English | MEDLINE | ID: mdl-39277736

ABSTRACT

BACKGROUND: To predict the long-term performance of restorative materials in the oral environment, it is important to evaluate their resistance to chemical and mechanical degradation and to know the toxic potential of the type and amount of ions eluted from the filling material. In this study, home bleaching was applied to dental materials with different contents and it was aimed to determine the type and amount of ions released from these materials. METHODS: In this study, amalgam, posterior composite resin, anterior composite resin, bulk fill composite resin, indirect composite resin, hybrid ceramic and all-ceramic were used as restorative materials. 10 specimens of each material were prepared according to the manufacturer's instructions. Each material group was divided into two subgroups as the bleached group and the control group. After bleaching, all specimens were stored in 1 ml of 75% ethanol/water solution. Solutions were renewed after 1, 14 and 28 days. The type and amount of ions released from the materials were determined using Inductively Coupled Plasma-Mass Spectrometer (ICP-MS). Data were analyzed using the Friedman, Wilcoxon Signed Ranks, and Mann-Whitney U tests (α = 0.05). RESULTS: It was determined that the amount of ions release from the restorative materials decreased over time (p < 0.05). According to the results of the Mann-Whitney U test, there was no difference between the bleaching and control groups in most of the restorative materials (p > 0.05). CONCLUSION: Within the limits of this study, home bleaching system does not have a significant effect on ion release from restorative materials.


Subject(s)
Carbamide Peroxide , Composite Resins , Dental Amalgam , Dental Materials , Dental Restoration, Permanent , Materials Testing , Peroxides , Tooth Bleaching Agents , Urea , Carbamide Peroxide/pharmacology , Peroxides/chemistry , Composite Resins/chemistry , Tooth Bleaching Agents/chemistry , Dental Amalgam/chemistry , Urea/analogs & derivatives , Urea/chemistry , Dental Restoration, Permanent/methods , Dental Materials/chemistry , Ions , Ceramics/chemistry , Humans , Time Factors
5.
Sci Rep ; 14(1): 20663, 2024 09 05.
Article in English | MEDLINE | ID: mdl-39237669

ABSTRACT

Potatoes (Solanum tuberosum L.) are a significant food crop cultivated around the world. Caffeic acid (CA) can enhance plant growth by promoting antioxidant activity and stimulating root development, contributing to overall plant health and vigor. Cobalt sulfate (CoSO4) boosts plant growth by promoting nitrogen (N) fixation, healthier root development, and chlorophyll synthesis, enhancing photosynthesis and overall plant health. Nanoparticle-coated urea (NPCU) improves nutrient uptake, promoting plant growth efficiency and reducing environmental impact. This study investigates the effects of combining CA, CoSO4, and NPCU as amendments on potatoes with and without NPCU. Four treatments, control, 20 µM CA, 0.15 mg/L CoSO4, and 20 µM CA + 0.15 mg/L CoSO4 with and without NPCU, were applied in four replications using a completely randomized design. Results demonstrate that the combination of CA + CoSO4 with NPCU led to an increase in potato stem length (~ 6%), shoot dry weight (~ 15%), root dry weight (~ 9%), and leaf dry weight (~ 49%) compared to the control in nutrient stress. There was a significant rise in chlorophyll a (~ 27%), chlorophyll b (~ 37%), and total chlorophyll (~ 28%) over the control under nutrient stress also showed the potential of CA + CoSO4 with NPCU. In conclusion, the findings suggest that applying CA + CoSO4 with NPCU is a strategy for alleviating potato nutrient stress.


Subject(s)
Caffeic Acids , Nanoparticles , Solanum tuberosum , Urea , Solanum tuberosum/drug effects , Solanum tuberosum/growth & development , Caffeic Acids/pharmacology , Caffeic Acids/chemistry , Urea/pharmacology , Nanoparticles/chemistry , Cobalt/pharmacology , Cobalt/chemistry , Photosynthesis/drug effects , Chlorophyll/metabolism , Plant Roots/drug effects , Plant Roots/growth & development , Plant Leaves/drug effects
6.
J Chromatogr A ; 1735: 465308, 2024 Oct 25.
Article in English | MEDLINE | ID: mdl-39244912

ABSTRACT

The high speed enrichment of benzoylurea insecticides (BUs) in complex matrices is an essential and challenging step. The present study focuses on the synthesis of a hierarchical pore nitrogen-doped carbon material for magnetic solid phase extraction (MSPE) of BUs. This material was prepared through the carbonization of a composite material ZIF-67@MCA which assembly with hydrogen-bonded organic frameworks (melamine-cyanurate, MCA) and zeolitic imidazolate framework (ZIF-67) at room temperature. The optimal adsorption effect is achieved when the mass ratio of ZIF-67 to MCA is 1/3, and the carbonization was performed at 600 °C, the such obtained carbon material was denoted as 1/3ZIF-67@MCA-DCs-600. The material was characterized with various physical methods including X-ray diffractometry (XRD), Fourier transform infrared spectrometry (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), Brunauer-Emmett-Teller (BET), vibrating sample magnetometer (VSM), water contact angle measurement, Raman spectrometry. 1/3ZIF-67@MCA-DCs-600 exhibits a macro-mesoporous 3D structure with a high degree of nitrogen doping and relatively large specific surface area, making it suitable for magnetic solid phase extraction (MSPE). The adsorption of BUs with concentration of 100 ng mL-1 can reach equilibrium within 5 s. The interaction between BUs and the adsorbent, facilitated by π-π stacking, hydrophobic interactions, hydrogen bonding forces, as well as the material's porosity, enables efficient extraction recoveries ranging from 45 % to 92 %. The enrichment of BUs was achieved through the establishment of an MSPE method under optimized conditions, which was further coupled with high performance liquid chromatography (HPLC) for the determination of the four BUs. The linear range spans from 5 ng ml-1 to 1000 ng ml-1 with the correlation coefficient (R2) of ≥ 0.99, Meanwhile, the detection limit for these four BUs falls within the range of 0.01 to 0.10 ng ml-1. The material exhibits good reusability and can be reused for at least 5 cycles. Inter day and intra-day precision ranges from 2.1-7.9 % and 1.0-5.4 %, respectively. The method demonstrates a high level of reliability in practical applications for the determination of BUs.


Subject(s)
Carbon , Hydrogen Bonding , Insecticides , Nitrogen , Solid Phase Extraction , Insecticides/analysis , Insecticides/chemistry , Insecticides/isolation & purification , Solid Phase Extraction/methods , Adsorption , Carbon/chemistry , Nitrogen/chemistry , Metal-Organic Frameworks/chemistry , Porosity , Triazines/chemistry , Triazines/isolation & purification , Limit of Detection , Urea/chemistry , Zeolites/chemistry
7.
Int J Mol Sci ; 25(17)2024 Aug 29.
Article in English | MEDLINE | ID: mdl-39273310

ABSTRACT

By performing differential scanning calorimetry(DSC) measurements on RNase A, we studied the stabilization provided by the addition of potassium aspartate(KAsp) or potassium glutamate (KGlu) and found that it leads to a significant increase in the denaturation temperature of the protein. The stabilization proves to be mainly entropic in origin. A counteraction of the stabilization provided by KAsp or KGlu is obtained by adding common denaturants such as urea, guanidinium chloride, or guanidinium thiocyanate. A rationalization of the experimental data is devised on the basis of a theoretical approach developed by one of the authors. The main contribution to the conformational stability of globular proteins comes from the gain in translational entropy of water and co-solute ions and/or molecules for the decrease in solvent-excluded volume associated with polypeptide folding (i.e., there is a large decrease in solvent-accessible surface area). The magnitude of this entropic contribution increases with the number density and volume packing density of the solution. The two destabilizing contributions come from the conformational entropy of the chain, which should not depend significantly on the presence of co-solutes, and from the direct energetic interactions between co-solutes and the protein surface in both the native and denatured states. It is the magnitude of the latter that discriminates between stabilizing and destabilizing agents.


Subject(s)
Aspartic Acid , Glutamic Acid , Protein Denaturation , Aspartic Acid/chemistry , Protein Denaturation/drug effects , Glutamic Acid/chemistry , Ribonuclease, Pancreatic/chemistry , Ribonuclease, Pancreatic/metabolism , Thermodynamics , Calorimetry, Differential Scanning , Entropy , Protein Stability , Guanidine/chemistry , Guanidine/pharmacology , Urea/chemistry , Urea/pharmacology , Protein Conformation
8.
Microbes Environ ; 39(3)2024.
Article in English | MEDLINE | ID: mdl-39284717

ABSTRACT

Nitrite-oxidizing bacteria (NOB), which perform the second step of aerobic nitrification, play an important role in soil. In the present study, we report a novel isolate from agricultural soil affiliated with the genus Nitrobacter and its physiological characteristics. We sampled the surface soil of a vegetable field and obtained mixed culture A31 using the most probable number (MPN) method with inorganic medium containing 0.75| |mM urea (pH 5.5). The dilution-extinction procedure on culture A31 led to the isolation of a strain that was designated as Nitrobacter sp. A67. The nxrB1 gene sequence of Nitrobacter sp. A67 (302 bp) was classified into Cluster 5, and the highest sequence identity was 96.10% with Nitrobacter sp. BS5/19. The NO2- oxidation activity of Nitrobacter sp. A67 was investigated at various pH. The optimum pH for NO2- oxidation was 5.8-6.4. This result indicates that Nitrobacter sp. A67 is a moderately acidophilic nitrite-oxidizing bacterium.


Subject(s)
Nitrification , Nitrites , Nitrobacter , Oxidation-Reduction , Phylogeny , RNA, Ribosomal, 16S , Soil Microbiology , Urea , Nitrobacter/metabolism , Nitrobacter/genetics , Nitrites/metabolism , Urea/metabolism , Hydrogen-Ion Concentration , RNA, Ribosomal, 16S/genetics , DNA, Bacterial/genetics , Sequence Analysis, DNA
9.
Int J Mol Sci ; 25(18)2024 Sep 10.
Article in English | MEDLINE | ID: mdl-39337273

ABSTRACT

Omecamtiv mecarbil (OM) is a small molecule that has been shown to improve the function of the slow human ventricular myosin (MyHC) motor through a complex perturbation of the thin/thick filament regulatory state of the sarcomere mediated by binding to myosin allosteric sites coupled to inorganic phosphate (Pi) release. Here, myofibrils from samples of human left ventricle (ß-slow MyHC-7) and left atrium (α-fast MyHC-6) from healthy donors were used to study the differential effects of µmolar [OM] on isometric force in relaxing conditions (pCa 9.0) and at maximal (pCa 4.5) or half-maximal (pCa 5.75) calcium activation, both under control conditions (15 °C; equimolar DMSO; contaminant inorganic phosphate [Pi] ~170 µM) and in the presence of 5 mM [Pi]. The activation state and OM concentration within the contractile lattice were rapidly altered by fast solution switching, demonstrating that the effect of OM was rapid and fully reversible with dose-dependent and myosin isoform-dependent features. In MyHC-7 ventricular myofibrils, OM increased submaximal and maximal Ca2+-activated isometric force with a complex dose-dependent effect peaking (40% increase) at 0.5 µM, whereas in MyHC-6 atrial myofibrils, it had no effect or-at concentrations above 5 µM-decreased the maximum Ca2+-activated force. In both ventricular and atrial myofibrils, OM strongly depressed the kinetics of force development and relaxation up to 90% at 10 µM [OM] and reduced the inhibition of force by inorganic phosphate. Interestingly, in the ventricle, but not in the atrium, OM induced a large dose-dependent Ca2+-independent force development and an increase in basal ATPase that were abolished by the presence of millimolar inorganic phosphate, consistent with the hypothesis that the widely reported Ca2+-sensitising effect of OM may be coupled to a change in the state of the thick filaments that resembles the on-off regulation of thin filaments by Ca2+. The complexity of this scenario may help to understand the disappointing results of clinical trials testing OM as inotropic support in systolic heart failure compared with currently available inotropic drugs that alter the calcium signalling cascade.


Subject(s)
Myocardial Contraction , Myofibrils , Urea , Humans , Urea/analogs & derivatives , Urea/pharmacology , Myofibrils/metabolism , Myofibrils/drug effects , Myocardial Contraction/drug effects , Calcium/metabolism , Myocardium/metabolism , Protein Isoforms/metabolism , Myosins/metabolism , Heart Ventricles/drug effects , Heart Ventricles/metabolism , Male , Cardiac Myosins/metabolism , Female , Adult
10.
Oper Dent ; 49(5): 564-573, 2024 Sep 01.
Article in English | MEDLINE | ID: mdl-39169512

ABSTRACT

This study evaluated the mechanical properties of demineralized dentin matrix submitted to different bleaching treatments, as well as the changes in mass and collagen biodegradation brought about by endogenous protease. Dentin collagen matrices were prepared to receive the following treatments (n=12): no bleaching treatment (C-control), 10% carbamide peroxide (CP-Opalescence PF, Ultradent, South Jordan, UT, USA) 10%/8 hours/ day/14 days, and 40% hydrogen peroxide (HP-Opalescence Boost, Ultradent), 40 minutes per session/3 sessions. The dentin matrices were evaluated for elastic modulus and mass before and after treatments and ultimate tensile strength after treatments. The solution collected during storage was evaluated for hydroxyproline release. There was no statistically significant difference between CP and C in terms of the elastic modulus (p=0.3697) or mass variation (p=0.1333). Dentin beams treated with HP and C presented significant mass loss after the first session (p=0.0003). HP treatment led to complete degradation of collagen matrices after the second bleaching session. After the second session, CP showed higher hydroxyproline concentration than C (p<0.0001). Ultimate tensile strength was lower for CP than C (p=0.0097). CP did not affect the elastic modulus or the dentin collagen matrix mass but did promote hydroxyproline release by endogenous protease and reduce the ultimate tensile strength. HP significantly affected the mechanical properties of dentin and promoted complete degradation of the demineralized dentin collagen matrix.


Subject(s)
Carbamide Peroxide , Collagen , Dentin , Elastic Modulus , Hydrogen Peroxide , Tensile Strength , Tooth Bleaching Agents , Tooth Bleaching , Dentin/metabolism , Dentin/drug effects , Collagen/metabolism , Humans , Tooth Bleaching Agents/pharmacology , Carbamide Peroxide/pharmacology , Tooth Bleaching/methods , Peptide Hydrolases/metabolism , Peroxides , Urea/analogs & derivatives , Urea/pharmacology , Hydroxyproline/metabolism , In Vitro Techniques
11.
J Anim Sci ; 1022024 Jan 03.
Article in English | MEDLINE | ID: mdl-39154206

ABSTRACT

The objectives were to determine the effects of dietary crude protein (CP) content and corn grain processing on whole-body urea kinetics and the functional roles of urea transporter-B (UT-B) and aquaporins (AQP) in serosal-to-mucosal urea flux (Jsm-urea) in ovine ruminal epithelia. Thirty-two Rideau-Arcott ram lambs were blocked by bodyweight into groups of 4 and then randomly allocated within blocks to 1 of 4 diets (n = 8) in a 2 × 2 factorial design. Dietary factors were CP content (11% [LP] vs. 16% [HP]) and corn grain processing (whole-shelled [WSC] vs. steam-flaked [SFC] corn). Whole-body urea kinetics and N balance were determined using 4-d continuous intrajugular infusions of [15N15N]-urea with concurrent collections of urine and feces with four blocks of lambs (n = 4). After 23 d on diets, lambs were killed to collect ruminal epithelia for mounting in Ussing chambers to determine Jsm-urea and the measurement of mRNA abundance of UT-B and AQP. Serosal and mucosal additions of phloretin and NiCl2 were used to inhibit UT-B- and AQP-mediated urea transport, respectively. Lambs fed HP had a greater (P < 0.01) N intake (29.4 vs. 19.1 g/d) than those fed LP; however, retained N (g/d or % of N intake) was not different. As a % of N intake, lambs fed SFC tended (P = 0.09) to have a lower N excretion (72.2 vs. 83.5%) and a greater N retention (27.8 vs. 16.6%) compared to those fed WSC. Endogenous urea-N production (UER) was greater in lambs fed HP compared to those fed LP (29.9 vs. 20.6 g/d; P = 0.02), whereas urea-N secreted into the gut (GER; g/d) and urea-N used for anabolic purposes (UUA; g/d) were similar. Lambs fed LP tended (P = 0.05) to have greater GER:UER (0.78 vs. 0.66) and UUA:GER (0.23 vs. 0.13) ratios, and a greater Jsm-urea (144.7 vs. 116.1 nmol/[cm2 × h]; P = 0.07) compared to those fed HP. Lambs fed SFC tended to have a lower NiCl2-insensitive Jsm-urea (117.4 vs. 178.4 nmol/[cm2 × h]; P = 0.09) and had a lower phloretin-insensitive Jsm-urea (87.1 vs. 143.1 nmol/[cm2 × h]; P = 0.02) compared to those fed WSC. The mRNA abundance of UT-B (0.89 vs. 1.07; P = 0.08) and AQP-3 (0.90 vs. 1.05; P = 0.07) tended to be lower in lambs fed SFC compared to those fed WSC. Overall, reducing CP content tended to increase the GER:UER ratio with no changes in the expression or function of UT-B and AQP. Although corn grain processing had no effects on GER, feeding SFC increased the portion of urea secretion into the rumen that was mediated via UT-B and AQP.


In ruminants, urea produced in the liver as a nitrogenous waste can be secreted into the rumen where it can be used by rumen microorganisms as a source of nitrogen (N) for their growth. Therefore, urea secretion into the rumen is nutritionally important for ruminants particularly when dietary N intake is deficient. Urea secretion into the rumen occurs via transporter proteins in rumen tissue referred to as urea transporters (UT-B) and aquaporins (AQP). The purpose of this research was to investigate the effects of dietary crude protein (CP) content and corn grain processing on urea secretion into the rumen and the function of UT-B and AQP. Thirty-two Rideau-Arcott lambs were assigned to 1 of 4 diets in a 2 × 2 factorial design. Dietary factors were CP content (11% [LP] vs. 16% [HP]) and corn processing (whole-shelled [WSC] vs. steam-flaked [SFC] corn). When compared to feeding HP, feeding LP tended to increase urea secretion into the rumen, but there were no corresponding changes in UT-B and AQP function. Corn processing did not influence urea secretion into the rumen; however, the portion of urea secretion that was facilitated via UT-B and AQP was greater in lambs fed SFC compared to those fed WSC.


Subject(s)
Animal Feed , Aquaporins , Diet , Membrane Transport Proteins , Rumen , Urea Transporters , Urea , Zea mays , Animals , Urea/metabolism , Rumen/metabolism , Aquaporins/metabolism , Aquaporins/genetics , Zea mays/metabolism , Animal Feed/analysis , Diet/veterinary , Sheep/physiology , Sheep/metabolism , Membrane Transport Proteins/metabolism , Membrane Transport Proteins/genetics , Male , Dietary Proteins/metabolism , Animal Nutritional Physiological Phenomena , Kinetics
12.
Bioorg Chem ; 152: 107724, 2024 Nov.
Article in English | MEDLINE | ID: mdl-39167873

ABSTRACT

Tyrosinase inhibitors are studied in the cosmetics and pharmaceutical sectors as tyrosinase enzyme is involved in the biosynthesis and regulation of melanin, hence these inhibitors are beneficial for the management of melanogenesis and hyperpigmentation-related disorders. In the current work, a novel series of diphenyl urea derivatives containing a halo-pyridine moiety (5a-t) was synthesized via a multi-step synthesis. In vitro, tyrosinase inhibitory assay results showed that, except for two compounds, the derivatives were excellent inhibitors of human tyrosinase. The average IC50 value of the inhibitors (15.78 µM) is lower than that of kojic acid (17.3 µM) used as the reference compound, indicating that, on average, these molecules are more potent than the reference. Derivative 5a was identified as the most potent human tyrosinase inhibitor of the series, with an IC50 value of 3.5 ± 1.2  µM, approximately 5 times more potent than kojic acid. To get further insights into the nature of binding site interactions, molecular docking and molecular dynamics simulation studies were carried out. Moreover, the evaluation of in silico ADME properties showed a highly favorable profile for the synthesized compounds. These findings suggested that the further development of this class of compounds could be useful to get potent drug-like compounds that can target hyperpigmentation-related disorders.


Subject(s)
Enzyme Inhibitors , Molecular Docking Simulation , Monophenol Monooxygenase , Pyridines , Monophenol Monooxygenase/antagonists & inhibitors , Monophenol Monooxygenase/metabolism , Enzyme Inhibitors/pharmacology , Enzyme Inhibitors/chemical synthesis , Enzyme Inhibitors/chemistry , Humans , Structure-Activity Relationship , Pyridines/chemistry , Pyridines/pharmacology , Pyridines/chemical synthesis , Molecular Structure , Dose-Response Relationship, Drug , Urea/pharmacology , Urea/analogs & derivatives , Urea/chemistry , Urea/chemical synthesis , Molecular Dynamics Simulation
13.
Neuropeptides ; 107: 102463, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39180799

ABSTRACT

Studies have indicated that stress-related symptoms can lead to hormonal and neural changes, affecting the pain threshold and nociceptive behaviors. The precise role of orexin receptors (OX1r and OX2r) in stress-induced analgesia (SIA) remains an inquiry yet to be comprehensively elucidated. The current investigation aimed to assess the impact of acute immobilization restraint stress on pain-related behavioral responses after administering antagonists targeting OX1r and OX2r in a rat model using the tail-flick test. After a period of five to seven days post-stereotaxic surgery in CA1, the baseline tail-flick latency (TFL) was recorded for each animal. Subsequently, rats were unilaterally administered varying doses of the OX1r antagonist (SB334867; 1, 3, 10, and 30 nmol), the OX2r antagonist (TCS OX2 29; 1, 3, 10, and 30 nmol), or a vehicle (0.5 µl solution containing 12% DMSO) through an implanted cannula. Following a 5-min interval, the animals were subjected to a restraint stress (RS) lasting for 3 h. The tail-flick test was conducted after the stress exposure, and the TFLs were assessed at 60-min intervals. The findings of this study revealed that RS elicits antinociceptive responses in the tail-flick test. Microinjection of OX1r and OX2r antagonists into the CA1 attenuated RS-induced analgesia during the tail-flick test. Furthermore, the results underscored the preeminent role of OX2 receptors in modulating SIA. In conclusion, the orexin system localized within the hippocampal CA1 region may, in part, contribute to the manifestation of SIA in the context of acute pain.


Subject(s)
Benzoxazoles , CA1 Region, Hippocampal , Naphthyridines , Orexin Receptor Antagonists , Orexin Receptors , Restraint, Physical , Stress, Psychological , Animals , Orexin Receptors/metabolism , Orexin Receptor Antagonists/pharmacology , Orexin Receptor Antagonists/administration & dosage , Male , CA1 Region, Hippocampal/drug effects , CA1 Region, Hippocampal/metabolism , Stress, Psychological/metabolism , Rats , Benzoxazoles/pharmacology , Benzoxazoles/administration & dosage , Naphthyridines/pharmacology , Urea/analogs & derivatives , Urea/pharmacology , Urea/administration & dosage , Isoquinolines/pharmacology , Isoquinolines/administration & dosage , Rats, Sprague-Dawley , Analgesics/pharmacology , Analgesics/administration & dosage , Pyridines/pharmacology , Pyridines/administration & dosage , Pain/drug therapy , Pain/metabolism , Aminopyridines , Sulfonamides
14.
J Proteome Res ; 23(9): 3890-3903, 2024 Sep 06.
Article in English | MEDLINE | ID: mdl-39115235

ABSTRACT

Archaeological textiles represent precious remains from ancient culture; this is because of the historical and cultural importance of the information that can be obtained by such relics. However, the extremely complicated state of preservation of these textiles, which can be charred, partially or totally mineralized, with heavy soil or biological contamination, requires highly specialized and sensitive analytical tools to perform a comprehensive study. Starting from these considerations, the paper presents a combined workflow that provides the extraction of dyes and keratins and keratin-associated proteins in a single step, minimizing sampling while maximizing the amount of information gained. In the first phase, different approaches were tested and two different protocols were found suitable for the purpose of the unique workflow for dyes/keratin-proteins: a slightly modified urea protocol and a recently proposed new TCEP/CAA procedure. In the second step, after the extraction, different methods of cleanup and workflow for proteins and dyes were investigated to develop protocols that did not result in a loss of aliquots of the analytes of interest and to maximize the recovery of both components from the extracting solution. These protocols investigated the application of two types of paramagnetic beads, unmodified and carboxylate-coated hydrophilic magnetic beads, and dialysis and stage-tip protocols. The newly designed protocols have been applied to cochineal, weld, orchil, kermes, and indigo keratin-based dyed samples to evaluate the effectiveness of the protocols on several dye sources. These protocols, based on a single extraction step, show the possibility of investigating dyes and keratins from a unique sample of 1 mg or lesser, with respect to the thresholds of sensitivity and accuracy required in the study of textile artifacts of historical and artistic values.


Subject(s)
Coloring Agents , Keratins , Textiles , Keratins/chemistry , Keratins/isolation & purification , Textiles/analysis , Coloring Agents/chemistry , Coloring Agents/analysis , Urea/chemistry
15.
J Contam Hydrol ; 266: 104414, 2024 Sep.
Article in English | MEDLINE | ID: mdl-39154557

ABSTRACT

Composite with a high specific surface area of 224.62 m2 g-1 was prepared by adding urea as a nitrogen source to hazelnut shell biochar (HSB). Nitrogen doping significantly enhanced the ability of biochar for Cr(VI) elimination, achieving twice the removal efficiency of unmodified biochar. The impacts of varying the pH and initial concentrations on Cr(VI) removal by urea-modified biochar (N-HSB) were investigated. The Cr(VI) removal by N-HSB was better described by intra particle diffusion model and pseudo-second order kinetic model under optimal conditions. Furthermore, XPS, FTIR, SEM, and BET analyses were used to verify the pivotal roles of oxygen- and nitrogen-containing functional groups. Electrostatic attraction, redox reaction, and complexation constituted the principal mechanisms facilitating Cr(VI) elimination by N-HSB. This study demonstrated that the modification of biochar with urea as a nitrogen source represented a promising strategy for enhancing the removal capacity of biochar for Cr(VI) in aqueous environments.


Subject(s)
Charcoal , Chromium , Corylus , Urea , Water Pollutants, Chemical , Charcoal/chemistry , Corylus/chemistry , Chromium/chemistry , Urea/chemistry , Water Pollutants, Chemical/chemistry , Adsorption , Kinetics , Water Purification/methods , Hydrogen-Ion Concentration
16.
Chemosphere ; 364: 143137, 2024 Sep.
Article in English | MEDLINE | ID: mdl-39181468

ABSTRACT

Solar-driven photodegradation of pollutant is attractive for environmental remediation. Herein, we designed and synthetized a new kind of group-modified polymeric carbon nitride (PCN) photocatalyst with urea and 4-Nitro-o-phenylenediamine by one-pot method and applied to degrade bisphenol A (BPA) in aqueous solution. The light response range of photocatalyst had been extended a lot due to conjugation and electron-withdrawing properties of nitrobenzene. Physical analysis shows that 4-Nitro-o-phenylenediamine grafting brings an improved charge separation capacity. EPR and DFT results demonstrate the charge separation is significantly affected by the donor-acceptor structure of PCN, which can be altered via aromatic electron-withdrawing group. The kinetic constant of photocatalytic degradation for BPA was promoted by 8.8-times greater than unmodified PCN and a good recyclability was achieved. To verify the universality of group modification strategies, we prepared other two kinds of photocatalysts via electron-withdrawing group modification strategy and their photocatalytic performance all had been improved obviously.


Subject(s)
Nitriles , Photolysis , Polymers , Nitriles/chemistry , Catalysis , Polymers/chemistry , Benzhydryl Compounds/chemistry , Phenols/chemistry , Environmental Restoration and Remediation/methods , Water Pollutants, Chemical/chemistry , Nitrobenzenes/chemistry , Phenylenediamines/chemistry , Photochemical Processes , Kinetics , Urea/chemistry
17.
Int J Biol Macromol ; 278(Pt 2): 134713, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39154686

ABSTRACT

The exploration of environmentally friendly slow-release fertilizer (SRF) based on natural bio-polymers is of great importance in the development of modern agriculture and horticulture. Herein, a novel starch carbamate (SC) modified sodium alginate (SA) hydrogel (SC/SAH) was prepared utilizing as-synthesized SC and natural SA through the cationic ions crosslinking method and ultimately the corresponding slow-release fertilizer (SC/SAH-SRF) was successfully developed by immersing the dried SC/SAH matrix into saturated urea solution. Due to the low gelation temperature and high viscosity of the synthesized SC, the formed SC/SAH exhibits significantly enhanced properties including excellent water absorbency up to 8.02 g/g with considerable repeatability, abundant pore structure and high hydrophilicity compared with the neat SAH and natural starch based hydrogel (NS/SAH). Accordingly, the SC/SAH leads to higher urea loading amount âˆ¼ 1.28 g/g. Importantly, the resultant SC/SAH-SRF also shows superior slow-release performance, yielding a cumulative urea release of only 61.6 % within 10 h and almost completely release >16 h in water, what's more, only 58.5 % of the urea releases within 25 days and exceeding 50 days for complete release in soil column assays. The slow-release of urea from SC/SAH-SRF well complies for the first-order kinetics and accomplishes via a non-Fickian diffusion process. Moreover, the pot experiment demonstrates that the SC/SAH-SRF has higher growth promotion role for the maize seedlings than those of others. Consequently, this work provides a novel strategy for preparing environmentally friendly SRF by blending modified starch and hydrogel.


Subject(s)
Alginates , Carbamates , Delayed-Action Preparations , Fertilizers , Hydrogels , Starch , Alginates/chemistry , Starch/chemistry , Hydrogels/chemistry , Carbamates/chemistry , Delayed-Action Preparations/chemistry , Zea mays/chemistry , Water/chemistry , Urea/chemistry , Viscosity
19.
Pediatr Dent ; 46(4): 277-284, 2024 Jul 15.
Article in English | MEDLINE | ID: mdl-39123328

ABSTRACT

Purpose: The purpose of this study was to assess, in vitro, the color stability and bleaching response of three bulk-fill composite resins-Activa™, Tetric®-N-Ceram Bulk-Fill, and Filtek™ One Bulk-Fill???and one conventional composite resin, Filtek™ Z250, after immersion in commonly consumed carbonated beverages and subsequent home bleaching with 15 percent carbamide peroxide. Methods: Ninety-six samples (two- and four-mm thick) of the materials were immersed in malt drink, energy drink, cola, or distilled water for one day, one week, and two months. After two months, samples underwent home bleaching with 15 percent carbamide peroxide gel. Spectrophotometric analysis measured color and whiteness changes pre-immersion, post-immersion, and post-bleaching. Statistical significance was determined using factorial mixed analysis of variance (ANOVA), three-way ANOVA, and Bonferroni post hoc tests (P<0.05). Results: All tested composite resins exhibited unacceptable discoloration (color change greater than 3.3) after two months in carbonated beverages. Filtek™ One Bulk-Fill and Filtek™ Z250 displayed the most significant discoloration, particularly when immersed in the malt drink (P<0.05). In contrast, Activa™ samples reached unacceptable discoloration within just one week in malt and cola drinks. Home bleaching yielded limited whiteness recovery, with Activa™ presenting acceptable whiteness post-bleaching after staining with cola and energy drinks. Conclusions: This study highlights the aesthetic risks of prolonged carbonated beverage consumption and the limitations of the assessed home bleaching technique using 15 percent carbamide peroxide. Enhanced dental education on the dietary effects of some beverages on restorative materials is indicated by these findings.


Subject(s)
Carbamide Peroxide , Carbonated Beverages , Color , Composite Resins , Tooth Bleaching , Tooth Bleaching/methods , Tooth Bleaching Agents , Humans , Peroxides/adverse effects , Urea/analogs & derivatives , Urea/adverse effects , Materials Testing , Spectrophotometry , Energy Drinks
20.
Front Endocrinol (Lausanne) ; 15: 1416234, 2024.
Article in English | MEDLINE | ID: mdl-39145313

ABSTRACT

Objective: To investigate the factors influencing accelerated aging in patients with type 2 diabetes mellitus (T2DM) and coronary heart disease (CHD). Methods: A total of 216 patients diagnosed with T2DM and CHD between August 2019 and August 2023 at Xuzhou Central Hospital were selected. Patients were divided into an aging group and a non-aging group, based on the positive or negative values of phenotypic age acceleration (PhenoAgeAccel). Logistic regression analysis was conducted. Variables that had a univariate analysis P< 0.05 were included in the multivariate analysis to identify factors influencing aging in patients with T2DM and CHD, and the area under the curve of the model was reported. Results: This study included 216 patients, with 89 in the accelerated aging group, and 127 in the non-accelerated aging group. The average age of patients was 70.40 (95% CI: 69.10-71.69) years, with 137 males (63.4%). Compared with the non-accelerated aging group, patients in the accelerated aging group were older, with a higher proportion of males, and a higher prevalence of hypertension, stable angina pectoris, and unstable angina pectoris. Multivariate Logistic regression analysis indicated that the absolute value of neutrophils (NEUT#), urea (UREA), adenosine deaminase (ADA), and the triglyceride-glucose index (TyG) were risk factors for accelerated aging, while cholinesterase (CHE) was a protective factor. For each unit increase in NEUT#, UREA, ADA, and TyG, the risk of aging increased by 64%, 48%, 10%, and 789%, respectively. The overall area under the receiver operating characteristic (ROC) curve of the model in the training set was 0.894, with a 95% confidence interval (CI) of 0.851-0.938. Conclusion: NEUT#, CHE, UREA, ADA, and TyG are predictors of accelerated aging in patients with T2DM and CHD, with the model showing favorable overall predictive performance.


Subject(s)
Coronary Disease , Diabetes Mellitus, Type 2 , Humans , Diabetes Mellitus, Type 2/complications , Male , Female , Aged , Coronary Disease/epidemiology , Coronary Disease/blood , Middle Aged , Aging, Premature/epidemiology , Risk Factors , Aging , Triglycerides/blood , China/epidemiology , Adenosine Deaminase/metabolism , Urea/blood
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