REPRODUCTIVE TOXICOLOGY
·
2025
·
IF 2.8
Huage Liu
Thirdhand smoke (THS), a residual cigarette smoke still remaining in indoor environment long after active smoking has ceased, has aroused more and more people’s attention on health. However, the impact of THS exposure on the male reproductive system, particularly in in-vivo study, remain unclear. Thus, this study aims to investigate the adverse effects of 1-(N-methyl-N-nitrosamino)-1-(3-pyridinyl)-4-butanal (NNA), a special component in THS, on testis. Herein, adult ICR mice were orally administered diluted dimethylsulfoxide (control), 0.075 μg/kg and 0.15 μg/kg NNA for 10 weeks. The findings revealed that NNA exposure, especially in 0.15 μg/kg dosage, significantly reduced the epithelium height and tubular area within the testis. Transcriptomic analysis indicated that NNA exposure interfered with the expression of genes associated with oxygen transport and oxygen binding processes, such as Hbb-bs , the downregulation of which also led to oxidative damage. Additionally, NNA exposure induced oxidative damage in testis by decreased levels of SOD and GSH enzymes, along with an increase in MDA level. In summary, our results demonstrate that NNA exposure causes impaired testicular structure and oxidative damage, indicating its testicular toxicity. This finding not only implies the detrimental effect of NNA on male reproduction, but also provides a fundamental basis for further research on the impact of THS exposure on male reproductive health.
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RSC Advances
·
2017
·Vol. 7
·期 15
·9381-9392
·
IF 3.108
Qiao Wang,Chandra Sekhar Biswas,Massimiliano Galluzzi,Yuhang Wu,Bing Du,Florian. J. Stadler
Random copolymer gels of N-isopropylacrylamide (NIPAM) and N-ethylacrylamide (NEAM) were synthesized using a 1 : 1 monomer molar ratio in different methanol–water (xm = 0, 0.06, 0.13, 0.21, 0.31 0.43, 0.57, 0.76, where xm = mole fraction of methanol) mixtures. The samples were characterized using different techniques like Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), swelling ratio measurements, deswelling kinetics study, atomic force microscopy (AFM), and rheology. We found that, with the variation of the solvent composition (methanol–water mixtures) the properties of the gels varied significantly. These results can be explained on the basis of the interactions of the two different kinds of monomers with different methanol–water mixtures, their different kinds of thermoresponsiveness and hydrophilicity, and their different cononsolvent properties toward methanol–water mixtures.
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JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
·
2024
·
IF 3.6
Dongyan Yang,Lei Ni,Luping Gu,Qiang Chen,Juncheng Jiang,Jimi Su
Thermal runaway accounts for a high proportion of chemical safety accidents and poses a serious threat to the operational safety of personnel. Phase change materials (PCMs) have a high enthalpy of melting, if the latent heat energy of their phase change can be stored and used to absorb the heat released during thermal runaway, this phenomenon can provide a new approach for the control of reaction thermal runaway. In this work, microencapsulated phase change materials (microPCMs) were prepared by the suspension polymerization method using n -octadecane as the core material and polystyrene (PS) as the shell material. The prepared microPCMs had regular spherical morphologies with smooth surfaces, and the average particle size was 7.54 μm, the thermal conductivity was 0.05964 W/m∙K. The melting enthalpy of the microPCMs was 142.2 J/g, and the encapsulation percentage of the PCMs was 62.15%. The synthesis of the n -butylmagnesium bromide Grignard reagent occurred via a strong exothermic reaction, which was very likely to lead to overpressure venting once control was lost. The prepared microPCMs were applied as inhibitors in this reaction to investigate the temperature control effect under different operating conditions. The results showed that the amount of microPCMs added, and the timing of the addition affected the control effect. The addition of microPCMs could effectively reduce the reaction temperature and slow the rate of temperature increase. Even in the event of an emergency situation, such as a control failure, time could be gained for other emergency measures, effectively reducing the probability of thermal runaway accidents.
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Nature Communications
·
2025
·Vol. 16
·期 1
·1-12
·
IF 15.7
Yang Liu,Pu Zhongji,Wu Jianping,Liu Xiaofeng,Wang Zhe,Yu Haoran,Wang Liuwei,Meng Yan,Xu Gang,Yang Lirong,Zheng Wenlong
N -oxidation of N -heterocycles is essential in the synthesis of natural products but challenging due to low efficacy and poor regioselectivity. In this study, the N -oxidation selective potential of P450BM3 from Bacillus megaterium for N -heterocyclic compounds is investigated. Here, twelve amino acids located in the active center, including A74, L75, V78, A82, F87, I263, A264, A328, P329, A330, I401, and L437, are investigated by site-saturation mutation. As a result, F87, A264, L75, V78, A328, I401, and L437 are identified as hotspot residues. Subsequently, the combinatorial active-site saturation test/iterative saturation mutagenesis strategy is performed. Using quinoline as a model substrate, the mutant F87G/A264G/A328L exhibits N -oxidation selectivity of up to 99.0%, with a conversion rate of 99.3%. Molecular dynamics simulations uncover a “push-pull” molecular mechanism elucidating the pivotal role of steric factors in determining substrate recognition and N -oxidation selectivity. This study provides an efficient N -oxide synthesis method and insights into P450BM3’s molecular mechanisms.
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ACS Nano
·
2022
·
IF 18.027
Yujun Zhang,Shenghua Ye,Min Gao,Yong Li,Xuan Huang,Jun Song,Hong Cai,Qianling Zhang,Junmin Zhang
Heterogenization of homogeneous catalysis through supported single-atom catalysts (SACs) provided a feasible solution to recycling catalysts while keeping its efficiency in chemical synthesis. In this work, Cu SACs anchored on N-doped graphene (Cu SACs/NG) were prepared and first used for C–N coupling reactions. During the preparation, Cu–N–C structures, including Cu–N4 moieties, were formed in a one-step pyrolysis method. As-prepared Cu SACs/NG exhibited excellent catalytic activity toward C–N coupling reactions with a broad scope of substrates and showed outstanding performance of recycling. Compared with Cu nanoparticles (Cu NPs/NG), the advantages of single-atom catalysts were validated via experimental and theoretical calculations. The enhanced performances were attributed to increasing the number of active sites and increasing the intrinsic activity of each active site. This work provides an alternative synthetic strategy for fabricating atomically dispersed SACs and represents a significant advance for coupling reactions.
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Journal of Environmental Chemical Engineering
·
2025
·
IF 7.2
Lijiao Ma,Yudong Ding,Xun Zhu,Hong Wang,Min Cheng,Qiang Liao
To address the limitations of amine-based aqueous solutions, nonaqueous mixtures of monoethanolamine (MEA) and N,N-dimethylformamide (DMF) were developed for CO 2 capture. Key factors affecting absorption were systematically investigated, including MEA concentration (10–50 wt%), temperature (30–60 °C), pressure (100–220 kPa) and water content (0–70 wt%). At 30 °C and 140 kPa, the nonaqueous absorbent exhibited a comparable CO 2 absorption capacity to its aqueous solution, while achieving a fivefold increase in absorption rate. Thermogravimetric (TG) analysis revealed that the thermal decomposition temperature of 30 wt%MEA-DMF was 83 °C, which was higher than that of the aqueous solution (70 °C), indicating improved thermal stability. The reaction mechanism was elucidated through Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), pH and conductivity measurements, density functional theory calculations and molecular dynamics simulations. The solvent interactions in water-lean systems were found to impair absorption performance. CO 2 could react with MEA in nonaqueous environments to form carbamic acid, carbamate, and protonated MEA. The DMF component significantly enhanced the absorption rate by facilitating deprotonation. Overall, MEA-DMF solutions had superior CO 2 absorption capacity, faster reaction rate and greater thermal stability, without undergoing phase change. Additionally, the low evaporability, specific heat capacity, and evaporation enthalpy of DMF suggest reduced energy requirements for solvent regeneration. These findings support the potential of MEA-DMF systems as viable alternatives to conventional aqueous amine solutions for CO₂ capture.
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JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
·
2025
·
IF 3.1
Fang Jia,Xu Xilong,Yang Yi,Han Zhiqiang,Zuo Zinong,Han Weiqiang,Lin Bin
Effective removal of soot deposited in diesel particulate filter by catalysts has attracted great attention in the aftertreatment field to achieve environment protection, but the problem is short by incomplete and poor soot combustion. Herein, an integrated ZnO–SnO 2 semiconductor n–n heterostructure strategy of catalysts and ash is proposed for promoting diesel soot combustion. The integrated effects of different catalysts and ZnO ash on soot oxidation are studied with thermogravimetric analysis and gas emission analysis. The diesel soot is simulated by Printex U (PU) particles, and the catalysts include SnO 2 , ZrO 2 , TiO 2 , CeO 2 and Pt/Al 2 O 3 nanoparticles. Compared with other catalysts, the best catalytic effect on soot oxidation is achieved when SnO 2 catalyst is mixed with PU/ZnO at 1:1:1 mass ratio in tight contact method. The S and R w indexes reach the largest values of 9.33 × 10 –8 % 2 min −2 ℃ −3 and 38.64 × 10 5 , and the CO 2 amount reaches the maximum value at 3462 ppm, which is correspondingly with the XRD and XPS spectrum results of PU/ZnO/SnO 2 with ZnO–SnO 2 heterojunction structure having more adsorbed oxygen. The excessive catalyst is negative to the heat and oxygen transfer among the nanoparticles. When the mass ratio of PU/ZnO/SnO 2 is 1:1:1, the soot combustion presents the comparatively superior state. The results of this study innovate the soot oxidation influenced by catalyst and ash, which benefits the optimization of passive regeneration strategy in DPF application.
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JOURNAL OF ORGANIC CHEMISTRY
·
2025
·
IF 3.6
Lei Xu,Hao Sun,Xuefeng Tan,Dong Li,Gen-Qiang Chen,Xumu Zhang
A series of ferrocene-based chiral multidentate P,P,N,N-ligands were successfully designed and synthesized. They can be directly prepared via a one-step nucleophilic substitution reaction from (S)-1-[(R)-2-(diphenylphosphino)ferrocenyl] ethyl acetate [(SC,RFC)-BPPFOAc]. Their ruthenium complexes were used in the asymmetric hydrogenation of 2-pyridyl ketones under mild conditions, the target chiral 1-aryl- or 1-alkyl-(pyridine-2-yl)methanols were obtained with high yields and excellent enantioselectivities. The synthetic utility of this reaction was demonstrated through its utilization in the preparation of key intermediates for a RAS inhibitor and the antihistamine drug Carbinoxamine.
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CELL BIOCHEMISTRY AND FUNCTION
·
2016
·Vol. 34
·期 8
·588-596
·
IF 2.016
Yu Xiong,Hong-pei Ji,Wei-tao Song,Ye-Wei Yin,Chao-hua Xia,Bei Xu,Yi Xu,Xiao-bo Xia
Retinitis pigmentosa (RP) is a group of inherited neurodegenerative diseases characterized by the loss of photoreceptor cells through apoptosis. N -methyl- N -nitrosourea (MNU) is an alkylating toxicant that induces photoreceptor cell death resembling hereditary RP. This study aimed to investigate the role of nuclear factor κB (NF-κB) in MNU-induced photoreceptor degeneration. Adult rats received a single intraperitoneal injection of MNU (60 mg/kg bodyweight). Hematoxylin and eosin staining demonstrated progressive outer nuclear layer (ONL) loss after MNU treatment. Transmission electron microscopy revealed nuclear pyknosis, chromatin margination in the photoreceptors, increased secondary lysosomes, and lobulated retinal-pigmented epithelial cells in MNU-treated rats. Numerous photoreceptor cells in the ONL showed positive TUNEL staining and apoptosis rate peaked at 24 hours. Enhanced depth imaging spectral-domain optical coherence tomography showed ONL thinning and decreased choroid thickness. Electroretinograms showed decreased A wave amplitude that predominated in scotopic conditions. Western blot analysis showed that nuclear IκBα level increased, whereas nuclear NF-κB p65 decreased significantly in the retinas of MNU-treated rats. These findings indicate that MNU leads to selective photoreceptor degradation, and this is associated with the inhibition of NF-κB activation.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2024
·
IF 9.4
Danlian Huang,Hai Huang,Guangfu Wang,Ruijin Li,Ruihao Xiao,Li Du,Wei Zhou,Wenbo Xu
The coexistence of antibiotic resistance genes (ARGs) and antibiotic-resistant bacteria (ARB) in the environment poses a potential threat to public health. In our study, we have developed a novel advanced oxidation process for simultaneously removing ARGs and ARB by two types of iron and nitrogen-doped biochar derived from rice straw (FeN-RBC) and sludge (FeN-SBC). All viable ARB (approximately 10 8 CFU mL −1 ) was inactivated in the FeN-RBC/ peroxymonosulfate (PMS) system within 40 min and did not regrow after 48 h even in real water samples. Flow cytometry identified 96.7 % of dead cells in the FeN-RBC/PMS system, which verified the complete inactivation of ARB. Thorough disinfection of ARB was associated with the disruption of cell membranes and intracellular enzymes related to the antioxidant system. Whereas live bacteria (approximately 200 CFU mL −1 ) remained after FeN-SBC/PMS treatment. Intracellular and extracellular ARGs ( tetA and tetB) were efficiently degraded in the FeN-RBC/PMS system. The production of active species, primarily •OH, SO 4 •- and Fe (IV), as well as electron transfer, were essential to the effective disinfection of FeN-RBC/PMS. In comparison with FeN-SBC, the better catalytic performance of FeN-RBC was mainly ascribed to its higher amount of pyridine-N and Fe 0 , and more reactive active sites (such as C O group and Fe-N sites). Density functional theory calculations indicated the greater adsorption energy and Bader charge, more stable Fe-O bond, more easily broken O O bond in FeN-RBC/PMS, which demonstrated the stronger electron transfer capacity between FeN-RBC and PMS. To encapsulate, our study provided an efficient and dependable method for the simultaneous elimination of ARGs and ARB in water.
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INORGANIC CHEMISTRY
·
2026
·Vol. 65
·期 30
·17378-17391
·
IF 4.6
Wang Ying,Ma Yuyang,Cai Yimin,Yuan Lihua,Feng Wen,Cui Shuxun
N,O-Hybrid ligands featuring N-heterocyclic backbones
are promising
extractants for lanthanide separation, yet the governing role of N-donor
basicity in their complexation and extraction behavior toward trivalent
lanthanides remains less understood. This work investigates the effect
of N-donor basicity of two bipyridine- and bipyrimidine-based tetradentate
diamides, i.e., Et-Tol-BPDA and Et-Tol-BPymDA, on the coordination
and extraction of lanthanides. Results from solvent extraction experiments
indicate that both ligands extract light lanthanides via a cation-exchange
mechanism, while Et-Tol-BPymDA exhibits markedly higher selectivity
and efficiency with 1–6 M HNO 3 , achieving a La/Sm
separation factor of 90 at 3 M HNO 3 . The superior extraction
performance of Et-Tol-BPymDA over Et-Tol-BPDA stems from its enhanced
protonation resistance under acidic conditions, where the electron-withdrawing
effect of the extra bipyrimidine nitrogen atoms lowers the N-donor
basicity, allowing the ligand to retain its metal-binding capacity
even in highly acidic media, as validated by combined spectroscopic,
crystallographic, and theoretical analyses. The bonding analysis of
crystallographic and optimized complex structures confirms that amide
oxygen atoms serve as the primary coordination sites and produce shorter
metal–ligand bonds and stronger coordination interactions for
Et-Tol-BPDA. These findings unravel how the subtle variations in the
basicity of N-heterocycle modulate the coordination and extraction
properties of N,O-hybrid ligands toward trivalent lanthanides.
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Surfaces and Interfaces
·
2026
·
IF 6
Shiyang Fu,Yuqing Shi,Guowei Yu,Xiao Liang,Nan Gao,Jing Zhang
Co 3 O 4 /Fe 2 O 3 p–n heterojunctions were prepared hydrothermally. • CF-5 shows a 5.6-fold response at a lower optimal temperature. • DFT reveals charge redistribution enhancing n-butanol adsorption. To selectively detect volatile organic compounds at low operating temperatures are highly desirable for industrial safety and environmental monitoring. Herein, we report the high-performance n-butanol gas sensors via interfacial engineering of Co 3 O 4 /Fe 2 O 3 p–n heterojunction composites. Hierarchical architectures composed of Fe 2 O 3 nanoparticles uniformly anchored on Co 3 O 4 nanorods were synthesized through a facile hydrothermal calcination strategy. Among the prepared samples, the optimized composite delivers a markedly enhanced sensing response of 23.08 toward 100 ppm n-butanol, representing a 5.6-fold improvement compared with pristine Co 3 O 4 , and simultaneously reducing the optimal operating temperature to 110°C. The mechanism analyses reveal pronounced interfacial charge transfer from Fe 2 O 3 to Co 3 O 4 , which induces band bending and built-in potential barriers that sensitively regulate carrier transport. The formation of heterointerfaces also significantly enriches chemisorbed oxygen species, thereby accelerating surface oxidation reactions with n-butanol molecules. As a result, the sensor exhibits outstanding selectivity against common interfering gases, fast response/recovery dynamics (42/36 s). Density functional theory calculations further elucidate that the heterojunction facilitates stronger adsorption of n-butanol and its oxidation intermediates, enhanced charge transfer, and favorable electronic-state redistribution near the Fermi level. This work highlights interfacial electronic engineering as an effective strategy for developing energy-efficient and highly reliable metal-oxide gas sensors. Download: Download high-res image (237KB) Download: Download full-size image
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