A facile method for decarboxylative amination driven by the photoactivity of electron donor-acceptor(EDA)com-plexes assembled from iodide salts and redox-active esters has been proposed.A broad array of acyclic and cy...A facile method for decarboxylative amination driven by the photoactivity of electron donor-acceptor(EDA)com-plexes assembled from iodide salts and redox-active esters has been proposed.A broad array of acyclic and cyclic protected amines were readily synthesized without requiring exogenous transition-metal or photoredox catalysts.Moreover,this ap-proach facilitates late-stage functionalization of complex molecules and is amenable to continuous-flow process on gram scale.展开更多
Nine peptide-modified Salen-Co(Ⅱ)complexes based on three Salen ligand frameworks SA1~SA3 and four oligopeptides P1~P4 have been prepared.Their catalytic activities were examined through a model hydrohydrazination of...Nine peptide-modified Salen-Co(Ⅱ)complexes based on three Salen ligand frameworks SA1~SA3 and four oligopeptides P1~P4 have been prepared.Their catalytic activities were examined through a model hydrohydrazination of cinnamic alcohol with azodicarboxylate.While peptide-modified Salen-Co(Ⅱ)complexes derived from SA1 are ineffective,its parent 1SalenCo and those based on SA2 and SA3 are excellent catalyst for this reaction.These results demonstrate that peptide ligands significantly modulate the catalytic activity of SalenCo(Ⅱ)complexes,particularly at lower temperatures,likely due to hydrogen-bonding interactions.展开更多
Catalytic electron donor-acceptor(EDA) complex photochemistry has recently emerged as a popular and sustainable alternative to photoredox synthetic methods. Yet, the catalytic EDA strategy is still in its infancy for ...Catalytic electron donor-acceptor(EDA) complex photochemistry has recently emerged as a popular and sustainable alternative to photoredox synthetic methods. Yet, the catalytic EDA strategy is still in its infancy for organic synthesis due to the challenges of designing novel catalytic paradigm and expanding the substrate and reaction scope. Here, we disclose a catalytic EDA/Cu cooperative strategy by employing Na I as a catalytic donor for copper-catalyzed radical asymmetric carbocyanation. A diverse range of synthetically useful chiral benzyl nitriles are produced with high enantioselectivities. This synergetic EDA/copper catalysis enables the decarboxylative cyanation without request of any photoredox catalysts, further expanding the synthetic potential of catalytic EDA chemistry in organic synthesis.展开更多
Developing chemically complex intermetallic alloys(CCIMAs)is considered an effective strategy for overcoming the serious brittleness of conventional intermetallic alloys,especially under a high stress level.However,mo...Developing chemically complex intermetallic alloys(CCIMAs)is considered an effective strategy for overcoming the serious brittleness of conventional intermetallic alloys,especially under a high stress level.However,most CCIMAs still struggle to achieve yield strengths exceeding gigapascals,limiting their use as reliable structural materials in many engineering fields.展开更多
BACKGROUND As a member of the chaperonin-containing tailless complex polypeptide 1(TCP1)complex,which plays a pivotal role in ensuring the accurate folding of numerous proteins,chaperonin-containing TCP1 subunit 6A(CC...BACKGROUND As a member of the chaperonin-containing tailless complex polypeptide 1(TCP1)complex,which plays a pivotal role in ensuring the accurate folding of numerous proteins,chaperonin-containing TCP1 subunit 6A(CCT6A)participates in various physiological and pathological processes.However,its effects on cell death and cancer therapy and the underlying mechanisms need further exploration in colorectal cancer(CRC)cells.AIM To explore the effects of CCT6A on cell death and cancer therapy and the underlying mechanisms in CRC.METHODS Cell proliferation was evaluated using the MTS assay,EdU staining,and colony growth assays.The expression of CCT6A was monitored by immunoblotting and quantitative PCR.CCT6A was knocked out by CRISPR-Cas9,and overexpressed by transfecting plasmids.Autophagy was examined by immunoblotting and the mCherry-GFP-LC3 assay.To monitor apoptosis and necroptosis,immunoblotting,co-immunoprecipitation,and flow cytometry were employed.RESULTS Cisplatin(DDP)exerted cytotoxic effects on CRC cells while simultaneously downregulating the expression of CCT6A.Depletion of CCT6A amplified the cytotoxic effects of DDP,whereas overexpression of CCT6A attenuated these adverse effects.CCT6A suppressed autophagy,apoptosis,and necroptosis under both basal and DDP-treated conditions.Autophagy inhibitors significantly enhanced the cytotoxic effects of DDP,whereas a necroptosis inhibitor partially reversed the cell viability loss induced by DDP.Furthermore,inhibiting autophagy enhanced both apoptosis and necroptosis induced by DDP.CONCLUSION CCT6A negatively modulates autophagy,apoptosis,and necroptosis,and CCT6A confers resistance to DDP therapy in CRC,suggesting its potential as a therapeutic target.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
The Kunene Complex(KC)represents a very large Mesoproterozoic igneous body,mainly composed of anorthosites and gabbroic rocks that extends from SW Angola to NW Namibia(outcropping 18,000 km^(2),NE-SW trend,and ca.350 ...The Kunene Complex(KC)represents a very large Mesoproterozoic igneous body,mainly composed of anorthosites and gabbroic rocks that extends from SW Angola to NW Namibia(outcropping 18,000 km^(2),NE-SW trend,and ca.350 km long and up to 50 km wide).Little is known about its structure at depth.Here,we use recently acquired aerogeophysical data to accurately determine its hidden extent and to unravel its morphology at depth.These data have been interpreted and modelled to investigate the unexposed KC boundaries,reconstructing the upper crustal structure(between 0 and 15 km depth)overlain by the thin sedimentary cover of the Kalahari Basin.The modelling reveals that the KC was emplaced in the upper crust and extends in depth up to ca.5 km,showing a lobular geometry and following a large NE-SW to NNE-SSW linear trend,presumably inherited from older Paleoproterozoic structures.The lateral continuation of the KC to the east(between 50 and 125 km)beneath the Kalahari Cenozoic sediments suggests an overall size three times the outcropping dimension(about 53,500 km^(2)).This affirmation clearly reinforces the economic potential of this massif,related to the prospecting of raw materials and certain types of economic mineralization(Fe-Ti oxides,metallic sulphides or platinum group minerals).Up to 11 lobes have been isolated with dimensions ranging from 135.5 to 37.3 km in length and 81.9 to 20.7 km in width according to remanent bodies revealed by TMI mapping.A total volume of 65,184 km3 was calculated only for the magnetically remanent bodies of the KC.A long-lasting complex contractional regime,where large strike-slip fault systems were involved,occurred in three kinematic pulses potentially related to a change of velocity or convergence angle acting on previous Paleoproterozoic inherited sutures.The coalescent magmatic pulses can be recognized by means of magnetic anomalies,age of the bodies as well as the lineations inferred in this work:(i)Emplacement of the eastern mafic bodies and granites in a stage of significant lateral extension in a transtensional context between 1500 Ma and 1420 Ma;(ii)Migration of the mantle derived magmas westwards with deformation in a complex contractional setting with shearing structures involving western KC bodies and basement from 1415 Ma to 1340 Ma;(iii)NNW-SSE extensional structures are relocated westwards,involving mantle magmas,negative flower structures and depression that led to the formation of late Mesoproterozoic basins from 1325 Ma to 1170 Ma.Additionally,we detect several first and second order structures to place the structuring of the KC in a craton-scale context in relation to the crustal structures detected in NW Namibia.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
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
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
Single-pixel imaging(SPI)receives widespread attention due to its superior anti-interference capabilities,and image segmentation technology can effectively facilitate its recognition and information extraction.However...Single-pixel imaging(SPI)receives widespread attention due to its superior anti-interference capabilities,and image segmentation technology can effectively facilitate its recognition and information extraction.However,the complexity of the target scene and plenty of imaging time in SPI make it challenging to achieve high-quality and concise segmentation.In this paper,we investigate the image-free intricate scene semantic segmentation in SPI.Using“learned”illumination patterns allows for the full extraction of the object's spatial information,thereby enabling pixel-level segmentation results through the decoding of the received measurements.Simulation and experimentation show that,in the absence of image reconstruction,the mean intersection over union(MIoU)of segmented image can reach higher than 85%,and the Dice coefficient(DICE)close to 90%even at the sampling ratio of 5%.Our approach may be favorable to applications in medical image segmentation and autonomous driving field.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
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
Large-scale complex systems are integral to the functioning of various organizations within the national economy.Despite their significance,the lengthy construction cycles and the involvement of multiple entities ofte...Large-scale complex systems are integral to the functioning of various organizations within the national economy.Despite their significance,the lengthy construction cycles and the involvement of multiple entities often result in the deprioritization of standardized management practices,as they do not yield immediate benefits.The implementation of such systems typically encompasses the integrated phases of "development,construction,utiliz ation,and operation and maintenance".To enhance the overall delivery quality of these systems,it is imperative to dismantle the management barriers among these phases and adopt a holistic approach to standardized management.This paper takes a specific system project as a research object to identify common challenges,and proposes improvement strategies in the implementation of standar dized management.Empirical results indicate a substantial reduction in the system s full-lifecycle costs.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
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
Charge-transfer complexes(CTCs)have emerged as promising n-type organic thermoelectric(TE)materials due to their inherent high electrical conductivity and tunable transport polarities.In this study,we performed a comp...Charge-transfer complexes(CTCs)have emerged as promising n-type organic thermoelectric(TE)materials due to their inherent high electrical conductivity and tunable transport polarities.In this study,we performed a comprehensive first-principles investigation on the TE properties of nine CTCs comprised of 2,7-dialkyl[1]benzothieno[3,2-b][1]benzothiophenes(CnBTBT,n=4,8,12)as donors and fluorinated derivatives of tetracyanoquinodimethane(F_(m)TCNQ,m=0,2,4)as acceptors,aiming to identify high-performance n-type organic TE materials and elucidate the underlying structure-property relationships.Our calculation results,based on the Boltzmann transport equation and deformation potential theory,reveal that the length of the alkyl side chains and the number of fluorine substitutions significantly impact their electronic structures and TE properties.Notably,the CnBTBT-F_(m)TCNQ CTCs with shorter alkyl chains and more fluorine substitution demonstrate superior n-type characteristics,particularly C4BTBT-F4TCNQ,which achieves an excellent power factor of 671µW cm^(-1) K^(-2) at an optimal charge carrier concentration.Our findings not only clarify the critical role of molecular engineering in CTC-based TE materials but also provide valuable guidance for developing high-efficiency organic TE materials with versatile practical applications.展开更多
In modern industrial production,foreign object detection in complex environments is crucial to ensure product quality and production safety.Detection systems based on deep-learning image processing algorithms often fa...In modern industrial production,foreign object detection in complex environments is crucial to ensure product quality and production safety.Detection systems based on deep-learning image processing algorithms often face challenges with handling high-resolution images and achieving accurate detection against complex backgrounds.To address these issues,this study employs the PatchCore unsupervised anomaly detection algorithm combined with data augmentation techniques to enhance the system’s generalization capability across varying lighting conditions,viewing angles,and object scales.The proposed method is evaluated in a complex industrial detection scenario involving the bogie of an electric multiple unit(EMU).A dataset consisting of complex backgrounds,diverse lighting conditions,and multiple viewing angles is constructed to validate the performance of the detection system in real industrial environments.Experimental results show that the proposed model achieves an average area under the receiver operating characteristic curve(AUROC)of 0.92 and an average F1 score of 0.85.Combined with data augmentation,the proposed model exhibits improvements in AUROC by 0.06 and F1 score by 0.03,demonstrating enhanced accuracy and robustness for foreign object detection in complex industrial settings.In addition,the effects of key factors on detection performance are systematically analyzed,providing practical guidance for parameter selection in real industrial applications.展开更多
文摘A facile method for decarboxylative amination driven by the photoactivity of electron donor-acceptor(EDA)com-plexes assembled from iodide salts and redox-active esters has been proposed.A broad array of acyclic and cyclic protected amines were readily synthesized without requiring exogenous transition-metal or photoredox catalysts.Moreover,this ap-proach facilitates late-stage functionalization of complex molecules and is amenable to continuous-flow process on gram scale.
文摘Nine peptide-modified Salen-Co(Ⅱ)complexes based on three Salen ligand frameworks SA1~SA3 and four oligopeptides P1~P4 have been prepared.Their catalytic activities were examined through a model hydrohydrazination of cinnamic alcohol with azodicarboxylate.While peptide-modified Salen-Co(Ⅱ)complexes derived from SA1 are ineffective,its parent 1SalenCo and those based on SA2 and SA3 are excellent catalyst for this reaction.These results demonstrate that peptide ligands significantly modulate the catalytic activity of SalenCo(Ⅱ)complexes,particularly at lower temperatures,likely due to hydrogen-bonding interactions.
基金the National Natural Science Foundation of China (No. 22201087) for the financial support。
文摘Catalytic electron donor-acceptor(EDA) complex photochemistry has recently emerged as a popular and sustainable alternative to photoredox synthetic methods. Yet, the catalytic EDA strategy is still in its infancy for organic synthesis due to the challenges of designing novel catalytic paradigm and expanding the substrate and reaction scope. Here, we disclose a catalytic EDA/Cu cooperative strategy by employing Na I as a catalytic donor for copper-catalyzed radical asymmetric carbocyanation. A diverse range of synthetically useful chiral benzyl nitriles are produced with high enantioselectivities. This synergetic EDA/copper catalysis enables the decarboxylative cyanation without request of any photoredox catalysts, further expanding the synthetic potential of catalytic EDA chemistry in organic synthesis.
基金financially supported by the National Natural Science Foundation of China(Nos.52222112,52101151 and 52101135)Hong Kong Research Grant Council(RGC)(No.C1020-21G)+1 种基金Shenzhen Science and Technology Program(No.RCBS20210609103202012)APT research was conducted at the Inter-University 3D APT Unit of City University of Hong Kong(CityU),which is supported by the CityU grant 9360161
文摘Developing chemically complex intermetallic alloys(CCIMAs)is considered an effective strategy for overcoming the serious brittleness of conventional intermetallic alloys,especially under a high stress level.However,most CCIMAs still struggle to achieve yield strengths exceeding gigapascals,limiting their use as reliable structural materials in many engineering fields.
基金Supported by Shandong Provincial Natural Science Foundation,No.ZR2023MH329Project of Shandong Province Higher Educational Youth Innovation Science and Technology Program,No.2023KJ263and Natural Science Foundation of Gansu Province,China,No.22JR5RA953.
文摘BACKGROUND As a member of the chaperonin-containing tailless complex polypeptide 1(TCP1)complex,which plays a pivotal role in ensuring the accurate folding of numerous proteins,chaperonin-containing TCP1 subunit 6A(CCT6A)participates in various physiological and pathological processes.However,its effects on cell death and cancer therapy and the underlying mechanisms need further exploration in colorectal cancer(CRC)cells.AIM To explore the effects of CCT6A on cell death and cancer therapy and the underlying mechanisms in CRC.METHODS Cell proliferation was evaluated using the MTS assay,EdU staining,and colony growth assays.The expression of CCT6A was monitored by immunoblotting and quantitative PCR.CCT6A was knocked out by CRISPR-Cas9,and overexpressed by transfecting plasmids.Autophagy was examined by immunoblotting and the mCherry-GFP-LC3 assay.To monitor apoptosis and necroptosis,immunoblotting,co-immunoprecipitation,and flow cytometry were employed.RESULTS Cisplatin(DDP)exerted cytotoxic effects on CRC cells while simultaneously downregulating the expression of CCT6A.Depletion of CCT6A amplified the cytotoxic effects of DDP,whereas overexpression of CCT6A attenuated these adverse effects.CCT6A suppressed autophagy,apoptosis,and necroptosis under both basal and DDP-treated conditions.Autophagy inhibitors significantly enhanced the cytotoxic effects of DDP,whereas a necroptosis inhibitor partially reversed the cell viability loss induced by DDP.Furthermore,inhibiting autophagy enhanced both apoptosis and necroptosis induced by DDP.CONCLUSION CCT6A negatively modulates autophagy,apoptosis,and necroptosis,and CCT6A confers resistance to DDP therapy in CRC,suggesting its potential as a therapeutic target.
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.
基金supported by the subsidiary programme“Ayudas Extraordinarias Menciones Excelencia Severo Ochoa”of the CN IGME-CSIC(project AECEX2021,grant 15903)the University of Minnesota and National Science Foundation(award NSF-EAR 2153786)+1 种基金the Portuguese Foundation for Science and Technology(FCT)support,Geosciences Center project UIDB/00073/2020(doi:10.54499/UIDB/00073/2020)University of Coimbra and and GeoBioTec project UIDB/04035/2020(doi:10.54499/UIDB/04035/2020),Nova School of Science and Technology.
文摘The Kunene Complex(KC)represents a very large Mesoproterozoic igneous body,mainly composed of anorthosites and gabbroic rocks that extends from SW Angola to NW Namibia(outcropping 18,000 km^(2),NE-SW trend,and ca.350 km long and up to 50 km wide).Little is known about its structure at depth.Here,we use recently acquired aerogeophysical data to accurately determine its hidden extent and to unravel its morphology at depth.These data have been interpreted and modelled to investigate the unexposed KC boundaries,reconstructing the upper crustal structure(between 0 and 15 km depth)overlain by the thin sedimentary cover of the Kalahari Basin.The modelling reveals that the KC was emplaced in the upper crust and extends in depth up to ca.5 km,showing a lobular geometry and following a large NE-SW to NNE-SSW linear trend,presumably inherited from older Paleoproterozoic structures.The lateral continuation of the KC to the east(between 50 and 125 km)beneath the Kalahari Cenozoic sediments suggests an overall size three times the outcropping dimension(about 53,500 km^(2)).This affirmation clearly reinforces the economic potential of this massif,related to the prospecting of raw materials and certain types of economic mineralization(Fe-Ti oxides,metallic sulphides or platinum group minerals).Up to 11 lobes have been isolated with dimensions ranging from 135.5 to 37.3 km in length and 81.9 to 20.7 km in width according to remanent bodies revealed by TMI mapping.A total volume of 65,184 km3 was calculated only for the magnetically remanent bodies of the KC.A long-lasting complex contractional regime,where large strike-slip fault systems were involved,occurred in three kinematic pulses potentially related to a change of velocity or convergence angle acting on previous Paleoproterozoic inherited sutures.The coalescent magmatic pulses can be recognized by means of magnetic anomalies,age of the bodies as well as the lineations inferred in this work:(i)Emplacement of the eastern mafic bodies and granites in a stage of significant lateral extension in a transtensional context between 1500 Ma and 1420 Ma;(ii)Migration of the mantle derived magmas westwards with deformation in a complex contractional setting with shearing structures involving western KC bodies and basement from 1415 Ma to 1340 Ma;(iii)NNW-SSE extensional structures are relocated westwards,involving mantle magmas,negative flower structures and depression that led to the formation of late Mesoproterozoic basins from 1325 Ma to 1170 Ma.Additionally,we detect several first and second order structures to place the structuring of the KC in a craton-scale context in relation to the crustal structures detected in NW Namibia.
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.
基金Project supported by the Fundamental Research Funds for the Central Universities of China(Grant No.531118010757)。
文摘Single-pixel imaging(SPI)receives widespread attention due to its superior anti-interference capabilities,and image segmentation technology can effectively facilitate its recognition and information extraction.However,the complexity of the target scene and plenty of imaging time in SPI make it challenging to achieve high-quality and concise segmentation.In this paper,we investigate the image-free intricate scene semantic segmentation in SPI.Using“learned”illumination patterns allows for the full extraction of the object's spatial information,thereby enabling pixel-level segmentation results through the decoding of the received measurements.Simulation and experimentation show that,in the absence of image reconstruction,the mean intersection over union(MIoU)of segmented image can reach higher than 85%,and the Dice coefficient(DICE)close to 90%even at the sampling ratio of 5%.Our approach may be favorable to applications in medical image segmentation and autonomous driving field.
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.
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Large-scale complex systems are integral to the functioning of various organizations within the national economy.Despite their significance,the lengthy construction cycles and the involvement of multiple entities often result in the deprioritization of standardized management practices,as they do not yield immediate benefits.The implementation of such systems typically encompasses the integrated phases of "development,construction,utiliz ation,and operation and maintenance".To enhance the overall delivery quality of these systems,it is imperative to dismantle the management barriers among these phases and adopt a holistic approach to standardized management.This paper takes a specific system project as a research object to identify common challenges,and proposes improvement strategies in the implementation of standar dized management.Empirical results indicate a substantial reduction in the system s full-lifecycle costs.
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 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.
基金supported by the Strategic Priority Research Program of the Chinese Academy of Science(No.XDB0520000)the National Natural Science Foundation of China(Nos.52273170 and 52394271)the National Key R&D Program of China(No.2022YFA1203200).
文摘Charge-transfer complexes(CTCs)have emerged as promising n-type organic thermoelectric(TE)materials due to their inherent high electrical conductivity and tunable transport polarities.In this study,we performed a comprehensive first-principles investigation on the TE properties of nine CTCs comprised of 2,7-dialkyl[1]benzothieno[3,2-b][1]benzothiophenes(CnBTBT,n=4,8,12)as donors and fluorinated derivatives of tetracyanoquinodimethane(F_(m)TCNQ,m=0,2,4)as acceptors,aiming to identify high-performance n-type organic TE materials and elucidate the underlying structure-property relationships.Our calculation results,based on the Boltzmann transport equation and deformation potential theory,reveal that the length of the alkyl side chains and the number of fluorine substitutions significantly impact their electronic structures and TE properties.Notably,the CnBTBT-F_(m)TCNQ CTCs with shorter alkyl chains and more fluorine substitution demonstrate superior n-type characteristics,particularly C4BTBT-F4TCNQ,which achieves an excellent power factor of 671µW cm^(-1) K^(-2) at an optimal charge carrier concentration.Our findings not only clarify the critical role of molecular engineering in CTC-based TE materials but also provide valuable guidance for developing high-efficiency organic TE materials with versatile practical applications.
文摘In modern industrial production,foreign object detection in complex environments is crucial to ensure product quality and production safety.Detection systems based on deep-learning image processing algorithms often face challenges with handling high-resolution images and achieving accurate detection against complex backgrounds.To address these issues,this study employs the PatchCore unsupervised anomaly detection algorithm combined with data augmentation techniques to enhance the system’s generalization capability across varying lighting conditions,viewing angles,and object scales.The proposed method is evaluated in a complex industrial detection scenario involving the bogie of an electric multiple unit(EMU).A dataset consisting of complex backgrounds,diverse lighting conditions,and multiple viewing angles is constructed to validate the performance of the detection system in real industrial environments.Experimental results show that the proposed model achieves an average area under the receiver operating characteristic curve(AUROC)of 0.92 and an average F1 score of 0.85.Combined with data augmentation,the proposed model exhibits improvements in AUROC by 0.06 and F1 score by 0.03,demonstrating enhanced accuracy and robustness for foreign object detection in complex industrial settings.In addition,the effects of key factors on detection performance are systematically analyzed,providing practical guidance for parameter selection in real industrial applications.
