Human 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) catalyzes the biosynthesis of the most potent natural estrogen 17β-estradiol (E2) from estrone (E1) in the ovary and peripheral tissues, playing a pivotal ro...Human 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) catalyzes the biosynthesis of the most potent natural estrogen 17β-estradiol (E2) from estrone (E1) in the ovary and peripheral tissues, playing a pivotal role in the progression of estrogen-dependent diseases. N-n-Butyl-N-methyl-ll-(16'α-chloro-3',17'β-dihydroxyestra-1',3',5'(10')-trien-7'α-yl)undecanamide (EM-139) was previously described as a dual-site inhibitor that can inhibit 17β-HSD1 transforming E1 into E2 and also inhibit estrogen receptor. In the present report, we describe the co-crystallization of EM-139 with 17β-HSD1 as well as the analysis of the three-dimensional structure of the enzyme/inhibitor complex. The crystal is grown under similar condition as native crystals, whereas the space group is changed to I121 never observed in other 17β-HSD1 crystals before. The steroidal moiety of the bound EM-139 molecule has shown a binding pattern similar to E2 in the E2 binary complex. The O-3 of the inhibitor develops hydrogen bonds with residues His221 and Glu282, whereas the O-17 makes hydrogen bonds with Ser142 and Tyr155. The bulky 7α-alkyl moiety of the inhibitor, which is essential for its anti-estrogenic activity but cannot be defined in the electron density, may compromise the inhibitory effect of EM-139 to 17β-HSD1. Moreover, the 16α-Cl atom shows no obvious interaction with surrounding residues. The atomic level understanding of the inhibitory mechanism of EM-139 provides important information for the inhibitor design of 17β-HSD1, which will facilitate future development of more potent and selective inhibitors of the enzyme for therapeutic purposes.展开更多
A new crystalline form of carboxypeptidase A (CPA) complexes withan inactivator was obtained by the method of hanging drop vapor diffusion. The inacti-’vator, 2-benzyl-3-iodo-propanoic acid (BIPA ), binds covalently ...A new crystalline form of carboxypeptidase A (CPA) complexes withan inactivator was obtained by the method of hanging drop vapor diffusion. The inacti-’vator, 2-benzyl-3-iodo-propanoic acid (BIPA ), binds covalently to an active siteresidue Glu-27O of CPA. The complex was crystallized in space group P212121 with a= 48. 8 A, b=66. 9 A, c= 96. 0 A. The complex structure was determined by molecu-lar replacement using the native CPA crystal structure as the search model. The finalcrystallographic residual is 0. 152. Except for the modification of Glu-270, the inactiva-tor exhibits normal binding mode compared with other ligand complexes of CPA. Inthe final different electron density maps (2Fo-Fc, Fo-Fc), the density of the iodo ioncould not be found while the conserved molecule remains coordinated to Zn2+ as in thenative CPA. Comparisons of complex of CPA-BIPA with the native CPA and theCPA/D-Phe complex are presented. The mechanism of inactivation of CPA was dis-cussed.展开更多
The semiconductor manufacturing industry imposes stringent requirements on the metal ion content of photoresist resin monomers.Tris(2-carboxyethyl)isocyanurate(H_(3)tci),a critical raw material for photoresist resin m...The semiconductor manufacturing industry imposes stringent requirements on the metal ion content of photoresist resin monomers.Tris(2-carboxyethyl)isocyanurate(H_(3)tci),a critical raw material for photoresist resin monomers,inevitably incorporates metal ions during production.However,its inherent carboxyethyl groups form stable coordination complexes with Cr(Ⅲ),hindering the semiconductor-grade resin monomer production.To achieve the ultra-deep removal of Cr(Ⅲ)at ultra-trace concentrations,inspired by the hard–soft-acid–base theory,we systematically modulated the electron-rich sulfonic acid group on polymers via controlled sulfonation conditions to achieve a novel series of adsorption materials(St)with ultra-high Cr(Ⅲ)adsorption affinity.The adsorption–recrystallization process using 6 g of St-V-15 could reduce the Cr(Ⅲ)concentration in a solution containing 1 g of H_(3)tci from 840 ppb to 27.5 ppb.Furthermore,St-V-15 exhibited a maximum adsorption capacity of 145 mg g^(−1)calculated using the Langmuir model and a rapid initial adsorption rate of 82.92 mg g^(−1)min^(−1)at 333 K.Additionally,St-V-15 demonstrated exceptional selectivity for Cr(Ⅲ)over competing ions(e.g.,K(Ⅰ),Mg(Ⅱ),Na(Ⅰ)and Zn(Ⅱ))and maintained stable performance over at least 10 adsorption–desorption cycles.The superior performance originated from the chelation between Cr(Ⅲ)and the sites of O atoms(S–O and S=O)combined with the electrostatic interaction between deprotonated sulfonic acid groups and Cr(Ⅲ).These results position St-V-15 as a promising adsorption material for ultra-trace Cr(Ⅲ)removal in H_(3)tci,offering a cost-effective solution for semiconductor-grade resin monomer production for the very first time.展开更多
Polydiacetylene(PDA)liposomes have been widely applied for detection due to their distinctive optical properties.How-ever,the liquid phase in which PDA liposomes are dispersed generates several drawbacks,for instance,...Polydiacetylene(PDA)liposomes have been widely applied for detection due to their distinctive optical properties.How-ever,the liquid phase in which PDA liposomes are dispersed generates several drawbacks,for instance,instability,compromise of detection sensitivity induced by dilution,and separation of target sampling and detection,making it inconvenient for application.In this paper,various functionalized PDA liposomes for detecting target were prepared,which were also immobilized into swelling microneedles to construct a solid-phase detection system.The PDA lipo-somes-complexed microneedles(PDA/MNs)enable the integration of target sampling and detection in one platform.The effects of the dispersing matrix phase on the detection sensitivity of PDA liposomes were systematically investi-gated from both environmental and chemical perspectives.PDA/MNs exhibited higher sensitivity than their counter-parts in liquid phase.PDA/MNs were optimized and validated for lead ion(Pb^(2+))and sialic acid(SA)detections.For Pb^(2+) detection,the limit of detection(LOD)of the PDA/MNs was 13.7 mM and 2.5 times lower than the liquid phase.For SA detection,the LOD of the PDA/MNs was 0.83 mM and 1.7 times lower than the liquid phase.The results suggested that such PDA/MNs were validated to provide a label-free,stable,sensitive,and convenient tool in an all-in-one manner for physiologic target detection.展开更多
The Steiner k-eccentricity of a vertex is the maximum Steiner distance over all k-sets each of which contains the given vertex,where the Steiner distance of a vertex set is the size of a minimum Steiner tree on this s...The Steiner k-eccentricity of a vertex is the maximum Steiner distance over all k-sets each of which contains the given vertex,where the Steiner distance of a vertex set is the size of a minimum Steiner tree on this set.Since the minimum Steiner tree problem is well-known NP-hard,the Steiner k-eccentricity is not so easy to compute.This paper attempts to efficiently solve this problem on block graphs and general graphs with limited cycles.A block graph is a graph in which each block is a clique,and is also called a clique-tree.On block graphs,we propose an O(k(n+m))-time algorithm to compute the Steiner k-eccentricity of a vertex where n and m are respectively the order and size of a block graph.On general graphs with limited cycles,we take the cyclomatic numberν(G)as a parameter which is the minimum number of edges of G whose removal makes G acyclic,and devise an O(n^(ν(G)+1)(n(G)+m(G)+k))-time algorithm.展开更多
Three copper(Ⅱ),nickel and cadmium(Ⅱ)complexes,namely[Cu_(2)(μ-H2dbda)2(phen)2]·2H_(2)O(1),[Ni(μ-H2dbda)(μ-bpb)(H_(2)O)2]n(2),and[Cd(μ-H2dbda)(μ-bpa)]n(3),have been constructed hydrothermally using H4dbda(...Three copper(Ⅱ),nickel and cadmium(Ⅱ)complexes,namely[Cu_(2)(μ-H2dbda)2(phen)2]·2H_(2)O(1),[Ni(μ-H2dbda)(μ-bpb)(H_(2)O)2]n(2),and[Cd(μ-H2dbda)(μ-bpa)]n(3),have been constructed hydrothermally using H4dbda(4,4'-dihydroxy-[1,1'-biphenyl]-3,3'-dicarboxylic acid),phen(1,10-phenanthroline),bpb(1,4-bis(pyrid-4-yl)benzene),bpa(bis(4-pyridyl)amine),and copper,nickel and cadmium chlorides at 160℃.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses,and singlecrystal X-ray diffraction analyses.Single-crystal X-ray diffraction analyses revealed that three complexes crystallize in the monoclinic P21/n,tetragonal I42d,and orthorhombic P21212 space groups.The complexes exhibit molecular dimers(1)or 2D metal-organic networks(2 and 3).The catalytic performances in the Knoevenagel reaction of these complexes were investigated.Complex 1 exhibits an effective catalytic activity and excellent reusability as a heterogeneous catalyst in the Knoevenagel reaction at room temperature.CCDC:2463800,1;2463801,2;2463802,3.展开更多
Three zinc(Ⅱ),nickel(Ⅱ),and cadmium(Ⅱ)complexes,namely[Zn(μ-Htpta)(py)_(2)]n(1),[Ni(H_(2)biim)2(H_(2)O)2][Ni(tpta)(H_(2)biim)2(H_(2)O)]2·3H_(2)O(2),and[Cd_(3)(μ4-tpta)2(μ-dpe)_(3)]_(n)(3),have been construc...Three zinc(Ⅱ),nickel(Ⅱ),and cadmium(Ⅱ)complexes,namely[Zn(μ-Htpta)(py)_(2)]n(1),[Ni(H_(2)biim)2(H_(2)O)2][Ni(tpta)(H_(2)biim)2(H_(2)O)]2·3H_(2)O(2),and[Cd_(3)(μ4-tpta)2(μ-dpe)_(3)]_(n)(3),have been constructed hydrothermally at 160℃ using H_(3)tpta([1,1':3',1″-terphenyl]-4,4',5'-tricarboxylic acid),py(pyridine),H_(2)biim(2,2'-biimidazole),dpe(1,2-di(4-pyridyl)ethylene),and zinc,nickel and cadmium chlorides,resulting in the formation of stable crystalline solids which were subsequently analyzed using infrared spectroscopy,element analysis,thermogravimetric analysis,as well as structural analyses conducted via single-crystal X-ray diffraction.The findings from these single-crystal Xray diffraction studies indicate that complexes 1-3 form crystals within the monoclinic system P2_(1)/c space group(1)or triclinic system P1 space group(2 and 3),and possess 1D,0D,and 3D structures,respectively.Complex 1 demonstrated substantial catalytic efficiency and excellent reusability as a heterogeneous catalyst in the reaction of Knoevenagel condensation under ambient temperature conditions.In addition,complex 1 also showcased notable anti-wear performance when used in polyalphaolefin synthetic lubricants.CCDC:2449810,1;2449811,2;2449812,3.展开更多
Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'...Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.展开更多
This paper reports the preparation of three di‑iron complexes containing a thiazole moiety.Esterification of complex[Fe_(2)(CO)_(6)(μ‑SCH_(2)CH(CH_(2)OH)S)](1)with 4‑methylthiazole‑5‑carboxylic acid gave the correspo...This paper reports the preparation of three di‑iron complexes containing a thiazole moiety.Esterification of complex[Fe_(2)(CO)_(6)(μ‑SCH_(2)CH(CH_(2)OH)S)](1)with 4‑methylthiazole‑5‑carboxylic acid gave the corresponding ester[Fe_(2)(CO)_(6)(μ‑tedt)](2),where tedt=SCH_(2)CH(CH_(2)OOC(5‑C_(3)HNSCH_(3)))S.Further reactions of complex 2 with tri(ptolyl)phosphine(tp)or tris(4‑fluorophenyl)phosphine(fp)gave the phosphine‑substituted derivatives[Fe_(2)(CO)_(5)(tp)(μ‑tedt)](3)and[Fe_(2)(CO)_(5)(fp)(μ‑tedt)](4).The structures of the newly prepared complexes were elucidated by elemental analysis,NMR,IR,and X‑ray photoelectron spectroscopy.Moreover,single‑crystal X‑ray diffraction analysis confirmed their molecular structures,showing that they contain a di‑iron core ligated by a bridged dithiolate bearing a thiazole moiety and terminal carbonyls.The electrochemical and electrocatalytic proton reduction were probed by cyclic voltammetry,revealing that three complexes can catalyze the reduction of protons to H_(2) under the electrochemical conditions.For comparison,complex 4 possessed the best efficiency with a turnover frequency of 23.5 s^(-1)at 10 mmol·L^(-1)HOAc concentration.In addition,the fungicidal activity of these complexes was also investigated in this study.CCDC:2477511,2;2477512,3;2477513,4.展开更多
The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.Th...The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.The complex was characterized by IR,^(1)H(^(13)C)NMR,elemental analysis,and powder X-ray diffraction,and the crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the orthorhombic system with space group Iba2,and the central tin atom is in a five-coordinated trigonal bipyramidal configuration.Quantum chemistry ab initio calculations were performed to investigate the stability,molecular orbital energy,and frontier molecular orbital characteristics of the complex.Additionally,its thermal stability,electrochemical properties,and in vitro anticancer activity were evaluated.CCDC:2380308.展开更多
The complexes 1-4 of cyclobutanocucurbit[5]uril(CyB5Q[5])with Na^(+)/K^(+)have been synthesized and characterized by single-crystal X-ray diffraction.The results show that although the inorganic salts are used when th...The complexes 1-4 of cyclobutanocucurbit[5]uril(CyB5Q[5])with Na^(+)/K^(+)have been synthesized and characterized by single-crystal X-ray diffraction.The results show that although the inorganic salts are used when the cations are the same and the anions are different,in complex 1,Na^(+)closes one port of CyB5Q[5]through Na—O seven coordination bonds to form a molecular bowl;in complex 3,Na^(+)completely closes the two ports of CyB5Q[5]to form a molecular capsule with six Na—O coordination bonds;in complexes 2 and 4,the two ports of CyB5Q[5]are completely closed to form K—O coordinated molecular capsules,but the K^(+)of complex 2 is six-coordinated and that of complex 4 is eight-/nine-coordinated.and complex 4 are connected by three oxygen bridges to form a 1D molecular chain.CCDC:2457122,1;2457121,2;2457400,3;2457120,4.展开更多
A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescenc...A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescence(TADF)properties.All calculations were performed using density functional theory(DFT)and time‑dependent density functional theory(TDDFT).Calculations for electronic structures,frontier molecular orbital characteristics(which determine the efficiency roll‑off effect of the complexes),and photophysical properties were conducted using the Gaussian 09 software package.The calculation of spin‑orbit coupling matrix elements<T|HSOC|S>,which determine the TADF properties of the complexes,was performed using the ORCA software package.The calculation results show that the auxiliary ligand tetraphenylimidodiphosphinate(tpip),a strong electron‑withdrawing group,can mitigate the efficiency roll‑off effect of the complex.Furthermore,TADF is observed in one of the designed complexes,(F_(3)Phppy)_(2)Ir(tpip),where F_(3)Phppy=2‑[4‑(2,4,6‑trifluorophenyl)phenyl]pyridine.展开更多
1.Objective Nigeria lies between the West African Craton and the Congo Craton,south of the Tuareg Shield(Ogunmola JK et al.,2015).The Nasarawa pegmatite field mainly comprises of the Precambrian Basement Complex(inclu...1.Objective Nigeria lies between the West African Craton and the Congo Craton,south of the Tuareg Shield(Ogunmola JK et al.,2015).The Nasarawa pegmatite field mainly comprises of the Precambrian Basement Complex(including Archean-Proterozoic migmatite,gneiss,schists and Pan-African “Older Granites”),Mesozoic alkaline ring complexes(“Younger Granites”) and sedimentary basins(Yang QD et al.,2023;Fig.1a).“Older Granites” are part of the Pan-African mobile belt;“Younger Granites” has significant peralkaline characteristics.“Younger Granites” has a wide distribution in the north-central region of Nigeria,including areas such as Kano,Jos-Bauchi,Mada,and Nasarawa,and the emplacement age gradually decreases from north to south from 213 Ma(Dutse complex) to 141 Ma(Afu complex)(Amuda AK et al.,2021).展开更多
Dear Editor,We present a case of acute zonal occult outer retinopathy(AZOOR)complex in a myopic patient with angioid streaks(ASs).A 19-year-old female has been experiencing visual field defects in her left eye for mor...Dear Editor,We present a case of acute zonal occult outer retinopathy(AZOOR)complex in a myopic patient with angioid streaks(ASs).A 19-year-old female has been experiencing visual field defects in her left eye for more than 3y.She was diagnosed with ASs and choroiditis at a local hospital.She has a seven-year history of bilateral high myopia.A fundus examination confirmed the presence of ASs and myopic fundus changes in both eyes.Multimodal imaging revealed an AZOOR complex in the left eye.展开更多
Multi-organ-on-a-chip(MOOC)technology represents a pivotal direction in the organ-on-a-chip field,seeking to emulate the complex interactions of multiple human organs in vitro through microfluidic systems.This technol...Multi-organ-on-a-chip(MOOC)technology represents a pivotal direction in the organ-on-a-chip field,seeking to emulate the complex interactions of multiple human organs in vitro through microfluidic systems.This technology overcomes the limitations of traditional single-organ models,providing a novel platform for investigating complex disease mechanisms and evaluating drug efficacy and toxicity.Although it demonstrates broad application prospects,its development still faces critical bottlenecks,including inadequate physiological coupling between organs,short functional maintenance durations,and limited real-time monitoring capabilities.Contemporary research is advancing along three key directions,including functional coupling,sensor integration,and full-process automation systems,to propel the technology toward enhanced levels of physiological relevance and predictive accuracy.展开更多
Cisplatin(CDDP)-based chemotherapy is an effective strategy for the treatment of advanced nasopharyngeal carcinoma(NPC).However,serious toxic side effects of CDDP limit patient tolerance and treatment compliance,which...Cisplatin(CDDP)-based chemotherapy is an effective strategy for the treatment of advanced nasopharyngeal carcinoma(NPC).However,serious toxic side effects of CDDP limit patient tolerance and treatment compliance,which urgently needs to be addressed in clinical application.Liposomes have been considered ideal vehicles for reducing CDDP toxicity due to their high biocompatibility,low toxicity and passive targeting ability.Nevertheless,CDDP's poor water/lipid solubility usually results in a low liposome druglipid ratio,limiting tumor delivery ability.Herein,a CDDP-polyphenol complex liposome was designed to increase the drug loading capacity of CDDP to realize the reduction of toxicity and effective antitumor effect simultaneously.The complex was prepared via complexation reaction of different stoichiometric ratios of CDDP and polyphenolic substances(gallic acid,epigallocatechin gallate and tannic acid),followed by encapsulation of complex in liposomes to improve tumor targeting.Notably,the molecular interaction forces between CDDP and polyphenolic substances were intensively investigated through a binding force disruption assay.In vitro studies demonstrated that the optimal formulation of CDDP-epigallocatechin gallate complex liposome(CDDP-EGCG Lips) showed the highest CDDP encapsulation efficiency,favorable stability,pH-sensitive release,enhanced cellular uptake and apoptosis effect.In vivo studies revealed that CDDP-EGCG Lips retarded the elimination of CDDP to prolong their circulation time,inhibited the growth of tumors,and significantly reduced the toxic side effects compared to CDDP monotherapy.This delivery strategy holds great promise for improving the clinical use of platinum-based drugs.展开更多
The Mechanism for Air pollution compleX version 1.0(MAX1),describing detailed tropospheric chemical processes,has been developed based on the latest knowledge.MAX1 contains 940 reactions,including photolysis,gaseous r...The Mechanism for Air pollution compleX version 1.0(MAX1),describing detailed tropospheric chemical processes,has been developed based on the latest knowledge.MAX1 contains 940 reactions,including photolysis,gaseous reactions,and heterogeneous reactions of 300 species,which is adequate for both box model and climate transport model(CTM)applications.Detailed chemical processes of chlorine chemistry,chemistry of Criegee intermediates,and heterogeneous uptake of HO_(2) and N_(2)O_(5) have been implemented and updated.With this level of explicitness,MAX1 can support investigations into the quantification of secondary pollutant productions and the chemical behavior of the crucial intermediates,such as organic peroxy radicals.Box model and CTM tests were conducted to evaluate the performance of MAX1 from different perspectives.Simulations of MAX1 successfully captured the variation of ozone in all cases tested.Meanwhile,significant improvement was made on predictions of radicals compared to other mechanisms,especially under the low NO_(x) environment,with good similarity to simulations of a nearly explicit chemical mechanism(i.e.,Master Chemical Mechanism)that contains over 17000 reactions.The computational expense of MAX1 is acceptable and it can be applied in atmospheric scientific research and air quality prediction.MAX1 introduces new dimensions in atmospheric chemistry modeling,and its potential application in policymaking is a promising yet exploratory step.It offers improved insights into air quality dynamics,which could assist policymakers in making more informed decisions.However,the translation of its detailed chemical understanding into practical strategies remains an area for further investigation.This model suggests a path towards more nuanced air pollution control methods,contributing to ongoing efforts in environmental management.展开更多
Anthocyanin biosynthesis in plants is spatiotemporally controlled by a suite of transcription factors,with MYB proteins playing a key regulatory role.However,the evolution of the distinct roles of MYB paralogs remains...Anthocyanin biosynthesis in plants is spatiotemporally controlled by a suite of transcription factors,with MYB proteins playing a key regulatory role.However,the evolution of the distinct roles of MYB paralogs remains poorly understood.Our previous studies have established GmMYBA2 and GmMYBA3 as the regulators of seed coat and floral anthocyanin production in soybean(Glycine max),respectively.In this study,we reveal the functional divergence of their paralog GmMYBA1 in orchestrating light-responsive anthocyanin biosynthesis in juvenile tissues and stems.In brief,hypocotyl/stem-and young leaf-predominant expression of GmMYBA1 correlates with photoprotective anthocyanin accumulation.Ectopic overexpression of GmMYBA1 induces systemic pigmentation across leaves,stems,and reproductive organs,whereas RNAi-mediated silencing of GmMYBA1 significantly reduces anthocyanin accumulation in the hypocotyl.Light-dark shift assays confirmed that GmMYBA1 is required for hypocotyl pigmentation,while dual-luciferase assays revealed the specific regulation of the GmMYBA paralogs by GmSTF1/2(soybean TGACG-motif binding factor 1/2).GmSTF1/2 both activate GmMYBA1,with only GmSTF2 weakly inducing GmMYBA2 and neither affecting GmMYBA3.Further investigation indicated that the differential transactivation of GmMYBA promoters largely resulted from their cis-element difference,suggesting regulatory divergence as a driver of MYB paralog diversification.Our findings position GmMYBA1 as the central MYB activator integrating light signaling with anthocyanin biosynthesis,with paralog specialization reflecting evolutionary subfunctionalization post-gene duplication.展开更多
Pores among particles provide the main space for the storage and migration of deep underground fluids(such as oil,gas,groundwater,and unconventional natural gas).The pores form a pore structure with complex morphology...Pores among particles provide the main space for the storage and migration of deep underground fluids(such as oil,gas,groundwater,and unconventional natural gas).The pores form a pore structure with complex morphology which is mainly dominated by the shape and distribution of particles.Therefore,the reconstruction of the pore structure or granular porous media and the evaluation of particle roundness have become an important foundation for the study of fluid flow through deep underground rock mass.This research proposes a novel approach for the multi-scale model with angular vertexes.The fractal topology theory and Voronoi space segmentation technology are combinedly used for the reconstruction of fractal granular porous media.The angular shapes are smoothed by using a modified B-spline technique and the particles with varying degrees of roundness are generated.To validate the superiority of our approach,the roundness based on the Wadell roundness calculation method is calculated and compared with the roundness obtained from particles smoothed using the vertex rounding substitution method.Results show that the roundness of particles smoothed with the modified B-spline technique closely aligns with the corresponding set rounded level(a nondimensional variable).Conversely,the vertex rounding substitution method is limited to a single dimensionally rounded radius.This innovative approach can offer a new method for the construction of granular porous media for the fluid flow study in deep underground rock mass.展开更多
Ultra-high-strength aluminumalloy profile is an ideal choice for aerospace structuralmaterials due to its excellent specific strength and corrosion resistance.However,issues such as uneven metal flow,stress concentrat...Ultra-high-strength aluminumalloy profile is an ideal choice for aerospace structuralmaterials due to its excellent specific strength and corrosion resistance.However,issues such as uneven metal flow,stress concentration,and forming defects are prone to occur during their extrusion.This study focuses on an Al-Zn-Mg-Cu ultra-high-strength aluminum alloy profile with a double-U,multi-cavity thin-walled structure.Firstly,hot compression experiments were conducted at temperatures of 350○C,400○C,and 450○C,with strain rates of 0.01 and 1.0 s^(−1),to investigate the plastic deformation behavior of the material.Subsequently,a 3D coupled thermo-mechanical extrusion simulation model was established using Deform-3D to systematically analyze the influence of die structure and process parameters on metal flow velocity,effective stress/strain,and temperature distribution.The simulation revealed significant velocity differences,stress concentration,and uneven temperature distribution.Key parameters,including mesh density,extrusion ratio,die fillet,and bearing length,were optimized through full-factorial experiments.This optimization,combined with a stepped flow-guiding die design,effectively improved the metal flow pattern during extrusion.Trial production based on both the initial and optimized parameters were carried out.A comparative analysis demonstrates that the optimized scheme results in a final profile whose cross-section matches the target design closely,with complete filling of complex features and no obvious forming defects.This research provides a valuable reference for the extrusion process optimization and die design of complex-section profiles made from ultra-high-strength aluminum alloys.展开更多
文摘Human 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) catalyzes the biosynthesis of the most potent natural estrogen 17β-estradiol (E2) from estrone (E1) in the ovary and peripheral tissues, playing a pivotal role in the progression of estrogen-dependent diseases. N-n-Butyl-N-methyl-ll-(16'α-chloro-3',17'β-dihydroxyestra-1',3',5'(10')-trien-7'α-yl)undecanamide (EM-139) was previously described as a dual-site inhibitor that can inhibit 17β-HSD1 transforming E1 into E2 and also inhibit estrogen receptor. In the present report, we describe the co-crystallization of EM-139 with 17β-HSD1 as well as the analysis of the three-dimensional structure of the enzyme/inhibitor complex. The crystal is grown under similar condition as native crystals, whereas the space group is changed to I121 never observed in other 17β-HSD1 crystals before. The steroidal moiety of the bound EM-139 molecule has shown a binding pattern similar to E2 in the E2 binary complex. The O-3 of the inhibitor develops hydrogen bonds with residues His221 and Glu282, whereas the O-17 makes hydrogen bonds with Ser142 and Tyr155. The bulky 7α-alkyl moiety of the inhibitor, which is essential for its anti-estrogenic activity but cannot be defined in the electron density, may compromise the inhibitory effect of EM-139 to 17β-HSD1. Moreover, the 16α-Cl atom shows no obvious interaction with surrounding residues. The atomic level understanding of the inhibitory mechanism of EM-139 provides important information for the inhibitor design of 17β-HSD1, which will facilitate future development of more potent and selective inhibitors of the enzyme for therapeutic purposes.
文摘A new crystalline form of carboxypeptidase A (CPA) complexes withan inactivator was obtained by the method of hanging drop vapor diffusion. The inacti-’vator, 2-benzyl-3-iodo-propanoic acid (BIPA ), binds covalently to an active siteresidue Glu-27O of CPA. The complex was crystallized in space group P212121 with a= 48. 8 A, b=66. 9 A, c= 96. 0 A. The complex structure was determined by molecu-lar replacement using the native CPA crystal structure as the search model. The finalcrystallographic residual is 0. 152. Except for the modification of Glu-270, the inactiva-tor exhibits normal binding mode compared with other ligand complexes of CPA. Inthe final different electron density maps (2Fo-Fc, Fo-Fc), the density of the iodo ioncould not be found while the conserved molecule remains coordinated to Zn2+ as in thenative CPA. Comparisons of complex of CPA-BIPA with the native CPA and theCPA/D-Phe complex are presented. The mechanism of inactivation of CPA was dis-cussed.
基金supported by the National Natural Science Foundation of China(Grant No.22478077,22278077).
文摘The semiconductor manufacturing industry imposes stringent requirements on the metal ion content of photoresist resin monomers.Tris(2-carboxyethyl)isocyanurate(H_(3)tci),a critical raw material for photoresist resin monomers,inevitably incorporates metal ions during production.However,its inherent carboxyethyl groups form stable coordination complexes with Cr(Ⅲ),hindering the semiconductor-grade resin monomer production.To achieve the ultra-deep removal of Cr(Ⅲ)at ultra-trace concentrations,inspired by the hard–soft-acid–base theory,we systematically modulated the electron-rich sulfonic acid group on polymers via controlled sulfonation conditions to achieve a novel series of adsorption materials(St)with ultra-high Cr(Ⅲ)adsorption affinity.The adsorption–recrystallization process using 6 g of St-V-15 could reduce the Cr(Ⅲ)concentration in a solution containing 1 g of H_(3)tci from 840 ppb to 27.5 ppb.Furthermore,St-V-15 exhibited a maximum adsorption capacity of 145 mg g^(−1)calculated using the Langmuir model and a rapid initial adsorption rate of 82.92 mg g^(−1)min^(−1)at 333 K.Additionally,St-V-15 demonstrated exceptional selectivity for Cr(Ⅲ)over competing ions(e.g.,K(Ⅰ),Mg(Ⅱ),Na(Ⅰ)and Zn(Ⅱ))and maintained stable performance over at least 10 adsorption–desorption cycles.The superior performance originated from the chelation between Cr(Ⅲ)and the sites of O atoms(S–O and S=O)combined with the electrostatic interaction between deprotonated sulfonic acid groups and Cr(Ⅲ).These results position St-V-15 as a promising adsorption material for ultra-trace Cr(Ⅲ)removal in H_(3)tci,offering a cost-effective solution for semiconductor-grade resin monomer production for the very first time.
基金funded by the Natural Science Foundation of Shandong Province(ZR2022MC033)the Qingdao Science&Technology Benefiting People Project(24-1-8-smjk-11-nsh).
文摘Polydiacetylene(PDA)liposomes have been widely applied for detection due to their distinctive optical properties.How-ever,the liquid phase in which PDA liposomes are dispersed generates several drawbacks,for instance,instability,compromise of detection sensitivity induced by dilution,and separation of target sampling and detection,making it inconvenient for application.In this paper,various functionalized PDA liposomes for detecting target were prepared,which were also immobilized into swelling microneedles to construct a solid-phase detection system.The PDA lipo-somes-complexed microneedles(PDA/MNs)enable the integration of target sampling and detection in one platform.The effects of the dispersing matrix phase on the detection sensitivity of PDA liposomes were systematically investi-gated from both environmental and chemical perspectives.PDA/MNs exhibited higher sensitivity than their counter-parts in liquid phase.PDA/MNs were optimized and validated for lead ion(Pb^(2+))and sialic acid(SA)detections.For Pb^(2+) detection,the limit of detection(LOD)of the PDA/MNs was 13.7 mM and 2.5 times lower than the liquid phase.For SA detection,the LOD of the PDA/MNs was 0.83 mM and 1.7 times lower than the liquid phase.The results suggested that such PDA/MNs were validated to provide a label-free,stable,sensitive,and convenient tool in an all-in-one manner for physiologic target detection.
基金Supported by Guizhou Provincial Basic Research Program (Natural Science)(No.ZK[2022]020)。
文摘The Steiner k-eccentricity of a vertex is the maximum Steiner distance over all k-sets each of which contains the given vertex,where the Steiner distance of a vertex set is the size of a minimum Steiner tree on this set.Since the minimum Steiner tree problem is well-known NP-hard,the Steiner k-eccentricity is not so easy to compute.This paper attempts to efficiently solve this problem on block graphs and general graphs with limited cycles.A block graph is a graph in which each block is a clique,and is also called a clique-tree.On block graphs,we propose an O(k(n+m))-time algorithm to compute the Steiner k-eccentricity of a vertex where n and m are respectively the order and size of a block graph.On general graphs with limited cycles,we take the cyclomatic numberν(G)as a parameter which is the minimum number of edges of G whose removal makes G acyclic,and devise an O(n^(ν(G)+1)(n(G)+m(G)+k))-time algorithm.
文摘Three copper(Ⅱ),nickel and cadmium(Ⅱ)complexes,namely[Cu_(2)(μ-H2dbda)2(phen)2]·2H_(2)O(1),[Ni(μ-H2dbda)(μ-bpb)(H_(2)O)2]n(2),and[Cd(μ-H2dbda)(μ-bpa)]n(3),have been constructed hydrothermally using H4dbda(4,4'-dihydroxy-[1,1'-biphenyl]-3,3'-dicarboxylic acid),phen(1,10-phenanthroline),bpb(1,4-bis(pyrid-4-yl)benzene),bpa(bis(4-pyridyl)amine),and copper,nickel and cadmium chlorides at 160℃.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses,and singlecrystal X-ray diffraction analyses.Single-crystal X-ray diffraction analyses revealed that three complexes crystallize in the monoclinic P21/n,tetragonal I42d,and orthorhombic P21212 space groups.The complexes exhibit molecular dimers(1)or 2D metal-organic networks(2 and 3).The catalytic performances in the Knoevenagel reaction of these complexes were investigated.Complex 1 exhibits an effective catalytic activity and excellent reusability as a heterogeneous catalyst in the Knoevenagel reaction at room temperature.CCDC:2463800,1;2463801,2;2463802,3.
文摘Three zinc(Ⅱ),nickel(Ⅱ),and cadmium(Ⅱ)complexes,namely[Zn(μ-Htpta)(py)_(2)]n(1),[Ni(H_(2)biim)2(H_(2)O)2][Ni(tpta)(H_(2)biim)2(H_(2)O)]2·3H_(2)O(2),and[Cd_(3)(μ4-tpta)2(μ-dpe)_(3)]_(n)(3),have been constructed hydrothermally at 160℃ using H_(3)tpta([1,1':3',1″-terphenyl]-4,4',5'-tricarboxylic acid),py(pyridine),H_(2)biim(2,2'-biimidazole),dpe(1,2-di(4-pyridyl)ethylene),and zinc,nickel and cadmium chlorides,resulting in the formation of stable crystalline solids which were subsequently analyzed using infrared spectroscopy,element analysis,thermogravimetric analysis,as well as structural analyses conducted via single-crystal X-ray diffraction.The findings from these single-crystal Xray diffraction studies indicate that complexes 1-3 form crystals within the monoclinic system P2_(1)/c space group(1)or triclinic system P1 space group(2 and 3),and possess 1D,0D,and 3D structures,respectively.Complex 1 demonstrated substantial catalytic efficiency and excellent reusability as a heterogeneous catalyst in the reaction of Knoevenagel condensation under ambient temperature conditions.In addition,complex 1 also showcased notable anti-wear performance when used in polyalphaolefin synthetic lubricants.CCDC:2449810,1;2449811,2;2449812,3.
文摘Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.
文摘This paper reports the preparation of three di‑iron complexes containing a thiazole moiety.Esterification of complex[Fe_(2)(CO)_(6)(μ‑SCH_(2)CH(CH_(2)OH)S)](1)with 4‑methylthiazole‑5‑carboxylic acid gave the corresponding ester[Fe_(2)(CO)_(6)(μ‑tedt)](2),where tedt=SCH_(2)CH(CH_(2)OOC(5‑C_(3)HNSCH_(3)))S.Further reactions of complex 2 with tri(ptolyl)phosphine(tp)or tris(4‑fluorophenyl)phosphine(fp)gave the phosphine‑substituted derivatives[Fe_(2)(CO)_(5)(tp)(μ‑tedt)](3)and[Fe_(2)(CO)_(5)(fp)(μ‑tedt)](4).The structures of the newly prepared complexes were elucidated by elemental analysis,NMR,IR,and X‑ray photoelectron spectroscopy.Moreover,single‑crystal X‑ray diffraction analysis confirmed their molecular structures,showing that they contain a di‑iron core ligated by a bridged dithiolate bearing a thiazole moiety and terminal carbonyls.The electrochemical and electrocatalytic proton reduction were probed by cyclic voltammetry,revealing that three complexes can catalyze the reduction of protons to H_(2) under the electrochemical conditions.For comparison,complex 4 possessed the best efficiency with a turnover frequency of 23.5 s^(-1)at 10 mmol·L^(-1)HOAc concentration.In addition,the fungicidal activity of these complexes was also investigated in this study.CCDC:2477511,2;2477512,3;2477513,4.
文摘The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.The complex was characterized by IR,^(1)H(^(13)C)NMR,elemental analysis,and powder X-ray diffraction,and the crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the orthorhombic system with space group Iba2,and the central tin atom is in a five-coordinated trigonal bipyramidal configuration.Quantum chemistry ab initio calculations were performed to investigate the stability,molecular orbital energy,and frontier molecular orbital characteristics of the complex.Additionally,its thermal stability,electrochemical properties,and in vitro anticancer activity were evaluated.CCDC:2380308.
文摘The complexes 1-4 of cyclobutanocucurbit[5]uril(CyB5Q[5])with Na^(+)/K^(+)have been synthesized and characterized by single-crystal X-ray diffraction.The results show that although the inorganic salts are used when the cations are the same and the anions are different,in complex 1,Na^(+)closes one port of CyB5Q[5]through Na—O seven coordination bonds to form a molecular bowl;in complex 3,Na^(+)completely closes the two ports of CyB5Q[5]to form a molecular capsule with six Na—O coordination bonds;in complexes 2 and 4,the two ports of CyB5Q[5]are completely closed to form K—O coordinated molecular capsules,but the K^(+)of complex 2 is six-coordinated and that of complex 4 is eight-/nine-coordinated.and complex 4 are connected by three oxygen bridges to form a 1D molecular chain.CCDC:2457122,1;2457121,2;2457400,3;2457120,4.
文摘A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescence(TADF)properties.All calculations were performed using density functional theory(DFT)and time‑dependent density functional theory(TDDFT).Calculations for electronic structures,frontier molecular orbital characteristics(which determine the efficiency roll‑off effect of the complexes),and photophysical properties were conducted using the Gaussian 09 software package.The calculation of spin‑orbit coupling matrix elements<T|HSOC|S>,which determine the TADF properties of the complexes,was performed using the ORCA software package.The calculation results show that the auxiliary ligand tetraphenylimidodiphosphinate(tpip),a strong electron‑withdrawing group,can mitigate the efficiency roll‑off effect of the complex.Furthermore,TADF is observed in one of the designed complexes,(F_(3)Phppy)_(2)Ir(tpip),where F_(3)Phppy=2‑[4‑(2,4,6‑trifluorophenyl)phenyl]pyridine.
基金funded by the projects of Tianjin North China Geological Exploration Bureau (HK2023–B01,HK2022–B08)China Geological Survey (DD20230576,DD20201152)。
文摘1.Objective Nigeria lies between the West African Craton and the Congo Craton,south of the Tuareg Shield(Ogunmola JK et al.,2015).The Nasarawa pegmatite field mainly comprises of the Precambrian Basement Complex(including Archean-Proterozoic migmatite,gneiss,schists and Pan-African “Older Granites”),Mesozoic alkaline ring complexes(“Younger Granites”) and sedimentary basins(Yang QD et al.,2023;Fig.1a).“Older Granites” are part of the Pan-African mobile belt;“Younger Granites” has significant peralkaline characteristics.“Younger Granites” has a wide distribution in the north-central region of Nigeria,including areas such as Kano,Jos-Bauchi,Mada,and Nasarawa,and the emplacement age gradually decreases from north to south from 213 Ma(Dutse complex) to 141 Ma(Afu complex)(Amuda AK et al.,2021).
基金Supported by the National Natural Science Foundation of China(No.82171073).
文摘Dear Editor,We present a case of acute zonal occult outer retinopathy(AZOOR)complex in a myopic patient with angioid streaks(ASs).A 19-year-old female has been experiencing visual field defects in her left eye for more than 3y.She was diagnosed with ASs and choroiditis at a local hospital.She has a seven-year history of bilateral high myopia.A fundus examination confirmed the presence of ASs and myopic fundus changes in both eyes.Multimodal imaging revealed an AZOOR complex in the left eye.
基金supported by the Shenzhen Medical Research Fund(Grant No.A2303049)Guangdong Basic and Applied Basic Research(Grant No.2023A1515010647)+1 种基金National Natural Science Foundation of China(Grant No.22004135)Shenzhen Science and Technology Program(Grant No.RCBS20210706092409020,GXWD20201231165807008,20200824162253002).
文摘Multi-organ-on-a-chip(MOOC)technology represents a pivotal direction in the organ-on-a-chip field,seeking to emulate the complex interactions of multiple human organs in vitro through microfluidic systems.This technology overcomes the limitations of traditional single-organ models,providing a novel platform for investigating complex disease mechanisms and evaluating drug efficacy and toxicity.Although it demonstrates broad application prospects,its development still faces critical bottlenecks,including inadequate physiological coupling between organs,short functional maintenance durations,and limited real-time monitoring capabilities.Contemporary research is advancing along three key directions,including functional coupling,sensor integration,and full-process automation systems,to propel the technology toward enhanced levels of physiological relevance and predictive accuracy.
基金supported by the National Natural Science Foundation of China (Nos.81872823,82073782,and 82241002)the Key R&D Plan of Ganjiang New District of Jiangxi (No.2023010)。
文摘Cisplatin(CDDP)-based chemotherapy is an effective strategy for the treatment of advanced nasopharyngeal carcinoma(NPC).However,serious toxic side effects of CDDP limit patient tolerance and treatment compliance,which urgently needs to be addressed in clinical application.Liposomes have been considered ideal vehicles for reducing CDDP toxicity due to their high biocompatibility,low toxicity and passive targeting ability.Nevertheless,CDDP's poor water/lipid solubility usually results in a low liposome druglipid ratio,limiting tumor delivery ability.Herein,a CDDP-polyphenol complex liposome was designed to increase the drug loading capacity of CDDP to realize the reduction of toxicity and effective antitumor effect simultaneously.The complex was prepared via complexation reaction of different stoichiometric ratios of CDDP and polyphenolic substances(gallic acid,epigallocatechin gallate and tannic acid),followed by encapsulation of complex in liposomes to improve tumor targeting.Notably,the molecular interaction forces between CDDP and polyphenolic substances were intensively investigated through a binding force disruption assay.In vitro studies demonstrated that the optimal formulation of CDDP-epigallocatechin gallate complex liposome(CDDP-EGCG Lips) showed the highest CDDP encapsulation efficiency,favorable stability,pH-sensitive release,enhanced cellular uptake and apoptosis effect.In vivo studies revealed that CDDP-EGCG Lips retarded the elimination of CDDP to prolong their circulation time,inhibited the growth of tumors,and significantly reduced the toxic side effects compared to CDDP monotherapy.This delivery strategy holds great promise for improving the clinical use of platinum-based drugs.
基金supported by the National Natural Science Foundation of China(Grant Nos.22325601,92044302,42377105)the National Key Scientific and Technological Infrastructure project“Earth System Science Numerical Simulator Facility”.
文摘The Mechanism for Air pollution compleX version 1.0(MAX1),describing detailed tropospheric chemical processes,has been developed based on the latest knowledge.MAX1 contains 940 reactions,including photolysis,gaseous reactions,and heterogeneous reactions of 300 species,which is adequate for both box model and climate transport model(CTM)applications.Detailed chemical processes of chlorine chemistry,chemistry of Criegee intermediates,and heterogeneous uptake of HO_(2) and N_(2)O_(5) have been implemented and updated.With this level of explicitness,MAX1 can support investigations into the quantification of secondary pollutant productions and the chemical behavior of the crucial intermediates,such as organic peroxy radicals.Box model and CTM tests were conducted to evaluate the performance of MAX1 from different perspectives.Simulations of MAX1 successfully captured the variation of ozone in all cases tested.Meanwhile,significant improvement was made on predictions of radicals compared to other mechanisms,especially under the low NO_(x) environment,with good similarity to simulations of a nearly explicit chemical mechanism(i.e.,Master Chemical Mechanism)that contains over 17000 reactions.The computational expense of MAX1 is acceptable and it can be applied in atmospheric scientific research and air quality prediction.MAX1 introduces new dimensions in atmospheric chemistry modeling,and its potential application in policymaking is a promising yet exploratory step.It offers improved insights into air quality dynamics,which could assist policymakers in making more informed decisions.However,the translation of its detailed chemical understanding into practical strategies remains an area for further investigation.This model suggests a path towards more nuanced air pollution control methods,contributing to ongoing efforts in environmental management.
基金supported by the Department of Science and Technology of Jilin Province(20220508112RC).
文摘Anthocyanin biosynthesis in plants is spatiotemporally controlled by a suite of transcription factors,with MYB proteins playing a key regulatory role.However,the evolution of the distinct roles of MYB paralogs remains poorly understood.Our previous studies have established GmMYBA2 and GmMYBA3 as the regulators of seed coat and floral anthocyanin production in soybean(Glycine max),respectively.In this study,we reveal the functional divergence of their paralog GmMYBA1 in orchestrating light-responsive anthocyanin biosynthesis in juvenile tissues and stems.In brief,hypocotyl/stem-and young leaf-predominant expression of GmMYBA1 correlates with photoprotective anthocyanin accumulation.Ectopic overexpression of GmMYBA1 induces systemic pigmentation across leaves,stems,and reproductive organs,whereas RNAi-mediated silencing of GmMYBA1 significantly reduces anthocyanin accumulation in the hypocotyl.Light-dark shift assays confirmed that GmMYBA1 is required for hypocotyl pigmentation,while dual-luciferase assays revealed the specific regulation of the GmMYBA paralogs by GmSTF1/2(soybean TGACG-motif binding factor 1/2).GmSTF1/2 both activate GmMYBA1,with only GmSTF2 weakly inducing GmMYBA2 and neither affecting GmMYBA3.Further investigation indicated that the differential transactivation of GmMYBA promoters largely resulted from their cis-element difference,suggesting regulatory divergence as a driver of MYB paralog diversification.Our findings position GmMYBA1 as the central MYB activator integrating light signaling with anthocyanin biosynthesis,with paralog specialization reflecting evolutionary subfunctionalization post-gene duplication.
基金Natural Science Foundation of Henan Province of China,Grant/Award Number:232300420438Fundamental Research Funds for the Universities of Henan Province,Grant/Award Numbers:NSFRF220427,NSFRF220204+2 种基金National Natural Science foundation of China,Grant/Award Number:41972175Excellent Youth Foundation of Henan Scientific Committee,Grant/Award Number:232300421025Doctoral Foundation of Henan Polytechnic University,Grant/Award Number:B2021-78。
文摘Pores among particles provide the main space for the storage and migration of deep underground fluids(such as oil,gas,groundwater,and unconventional natural gas).The pores form a pore structure with complex morphology which is mainly dominated by the shape and distribution of particles.Therefore,the reconstruction of the pore structure or granular porous media and the evaluation of particle roundness have become an important foundation for the study of fluid flow through deep underground rock mass.This research proposes a novel approach for the multi-scale model with angular vertexes.The fractal topology theory and Voronoi space segmentation technology are combinedly used for the reconstruction of fractal granular porous media.The angular shapes are smoothed by using a modified B-spline technique and the particles with varying degrees of roundness are generated.To validate the superiority of our approach,the roundness based on the Wadell roundness calculation method is calculated and compared with the roundness obtained from particles smoothed using the vertex rounding substitution method.Results show that the roundness of particles smoothed with the modified B-spline technique closely aligns with the corresponding set rounded level(a nondimensional variable).Conversely,the vertex rounding substitution method is limited to a single dimensionally rounded radius.This innovative approach can offer a new method for the construction of granular porous media for the fluid flow study in deep underground rock mass.
基金supported by the National Key Research and Development Program of China(Grant No.2023YFB3710805).
文摘Ultra-high-strength aluminumalloy profile is an ideal choice for aerospace structuralmaterials due to its excellent specific strength and corrosion resistance.However,issues such as uneven metal flow,stress concentration,and forming defects are prone to occur during their extrusion.This study focuses on an Al-Zn-Mg-Cu ultra-high-strength aluminum alloy profile with a double-U,multi-cavity thin-walled structure.Firstly,hot compression experiments were conducted at temperatures of 350○C,400○C,and 450○C,with strain rates of 0.01 and 1.0 s^(−1),to investigate the plastic deformation behavior of the material.Subsequently,a 3D coupled thermo-mechanical extrusion simulation model was established using Deform-3D to systematically analyze the influence of die structure and process parameters on metal flow velocity,effective stress/strain,and temperature distribution.The simulation revealed significant velocity differences,stress concentration,and uneven temperature distribution.Key parameters,including mesh density,extrusion ratio,die fillet,and bearing length,were optimized through full-factorial experiments.This optimization,combined with a stepped flow-guiding die design,effectively improved the metal flow pattern during extrusion.Trial production based on both the initial and optimized parameters were carried out.A comparative analysis demonstrates that the optimized scheme results in a final profile whose cross-section matches the target design closely,with complete filling of complex features and no obvious forming defects.This research provides a valuable reference for the extrusion process optimization and die design of complex-section profiles made from ultra-high-strength aluminum alloys.
