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Langmuir-Schaefer Film Investigation and Density Functional Theory Band Gap Calculations of Calix[n]arene-Para-Am.nobenzoic Acid for Drug nanosensor Application

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Journal of Wuhan University of Technology(materials Science) 2024年第5期39卷 1311-1318页

作者： WOnG Yeong yi F L Supian A Radzwan m musa n F n Abd Karim Departm.nt of Physics Sultan Idris Education UniversityTanjong Malim 35900Malaysia Departm.nt of Chemistry Sultan Idris Education UniversityTanjong Malim 35900Malaysia

Calix[n]arenes was utilized to detect PABA,the primary sunscreen *** study investigates the interaction of calix[4]arene(C4),calix[6]arene(C6),and PABA using the Langmuir method and first-principle density functional theory(DFT).Using the Langmuir-Schaefer(LS)technique,an ultrathin film composed of calix[n]arenes and their complexes with PABA was deposited on various *** on the Langmuir study,the PABA molecule was bonded to the lower rims of both C4 and C6 with the host-guest ratio of 1:*** of the LS films formed were then characterized by ultravioletvisible spectroscopy(UV-Vis),Fourier-transform infrared spectroscopy(FTIR)and carbon,hydrogen,nitrogen,sulfur elem.ntal analyzer(CHnS).The band gap reduction obtained in the DFT study denotes the charge transfer interaction with promising reactivity between the calix[n]arenes and *** sensing of PABA by C4 and C6 is successful based on the formation of bonding between them due to the hosts’effective trapping *** outcomes of this study could be applied to drug delivery systems for future pharmaceutical and medical applications.

关键词： calix[n]arenes band gap density functional theory Langmuir-Schaefer PABA sensor

magnetic,dielectric and electrical modulus of Ce^(3+) doped cobalt-magnesium ferrite nanoparticles

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Journal of Rare Earths 2024年第2期42卷 373-382,I0005页

作者： n.m.Basfer Hanaa Almaghamsi Departm.nt of Physics Umm AL-Qura UniversityMakkahSaudi Arabia Physics Departm.nt College of Science and ArtKing Abdulaziz UniversityPOB344Rabigh291Saudi Arabi

In this work,the magnetic,dielectric properties and electric modulus of Ce^(3+) substituted cobaltmagnesium(Co_(0.7)mg_(0.3)Ce_(x)Fe_(2-x)O_4)(labeled as CmCF) ferrite nanoparticles were investigated in *** magnetization decreases from 50.05 to 34.87 emu/g for further substituting Ce^(3+) ***,coercivity increases from 738.22 Gs for the CmCFO sample to 912.10 Gs for the CmCF2 sample,then decreases m.notonically to 762.1 Gs for the CmCF5 *** cerium content and particle size play important roles in controlling the magnetization and coercivity of the CmCF *** CmCF nanoferrites are suitable for microwave applications since their high-frequency response ranges from 7.72 to 11.07 *** CmCF nanoferrites' dielectric parameter dispersion exhibits normal *** pristine Co-mg nanoferrite only has ε' value of 28.25,but the nanoferrite mCmF2 has ε' value of365.03,with an enhancing ratio of 1192%.The conduction mechanism of the mCmF nanoferrites was determ.ned by fitting the σ_(ac) results via the Jonscher power *** 653 K,large polaron tunnelling is thought to be responsible for this conduction process,which is followed by electron barrier hopping at higher ***-Cole diagrams at different temperatures,assuring the contributions of the grains and their boundaries at lower temperatures(653 K) and only the grains at higher *** on our results,the CmCF nanoferrites hold magnetic and semiconducting nature,which can be used in magnetic devices and dielectrics in lower-frequencies or conductors in higher-frequencies.

关键词： nanoferrites Rare earth ions magnetic properties Dielectric parameters Impedance spectroscopy

Shor's algorithm does not factor large integers in the presence of noise

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Science China(Information Sciences) 2024年第7期67卷 305-320页

作者： Jin-yi CAI College of Letters and Science University of Wisconsin

We consider Shor's quantum factoring algorithm in the setting of noisy quantum gates. Under a generic model of random.noise for(controlled) rotation gates, we prove that the algorithm does not factor integers of the form pq when the noise exceeds a vanishingly small level in terms of n—the number of bits of the integer to be factored, where p and q are from a well-defined set of primes of positive density. We further prove that with probability 1-o(1) over random prime pairs(p, q), Shor's factoring algorithm does not factor numbers of the form pq, with the same level of random.noise present.

关键词： random.noise Shor's algorithm rotation gates quantum computing prime factorization

EDSUCh:A robust ensemble data summarization method for effective medical diagnosis

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Digital Comm.nications and networks 2024年第1期10卷 182-189页

作者： mohiuddin Ahmed A.n.m.Bazlur Rashid School of Science Edith Cowan UniversityPerthAustralia

Identifying rare patterns for medical diagnosis is a challenging task due to heterogeneity and the volume of *** summarization can create a concise version of the original data that can be used for effective *** this paper,we propose an ensemble summarization method that combines clustering and sampling to create a summary of the original data to ensure the inclusion of rare *** the best of our knowledge,there has been no such technique available to augm.nt the perform.nce of anomaly detection techniques and simultaneously increase the efficiency of medical *** perform.nce of popular anomaly detection algorithms increases significantly in terms of accuracy and computational complexity when the summaries are ***,the medical diagnosis becomes more effective,and our experim.ntal results reflect that the combination of the proposed summarization scheme and all underlying algorithms used in this paper outperforms the most popular anomaly detection techniques.

关键词： Data summarization Ensemble medical diagnosis Sampling

The Functional Redundancy of neddylation E2s and E3s in modulating the Fitness of Regulatory T Cells

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Research 2024年第2期2023卷 373-387页

作者： Di Wu yi Sun Cancer Institute(Key Laboratory of Cancer Prevention and Intervention China National Ministry of Education)of the Second Affiliated Hospital and Institute of Translational MedicineZhejiang University School of MedicineHangzhou 310029China Cancer Center of Zhejiang University Hangzhou 310029China Zhejang Provincial Clinical Research Center for Cancer Zhejang ProvinceChina Key Laboratory of molecular Biology in medical Sciences Zhejang ProvinceChina Research Center for Life Science and Hum.n Health Binjiang Institute of Zhejiang UniversityHangzhou 310053China

neddylation is necessary for activation of Cullin-RInG ligases(CRLs),which degrade various imm.ne regulatory *** recent study showed that while depletion of neddylation E2-E3 pair Ube2f-Sag in regulatory T(T_(reg))cells had no obvious phenotype,the same depletion of either Ube2m or Rbx1 caused inflammation disorders with different *** these E2s or E3s compensate each other in functional regulations of T_(reg)cells is,however,previously *** this report,we generated Foxp3^(Cre);Ube2m^(fl/fl);Ube2f^(fl/fl)or Foxp3^(Cre);Rbx1^(fl/fl);Sag^(fl/fl)double-null mice by simultaneous deletion of both neddylation E2s or E3s in T_(reg)cells,***,Ube2m&Ube2f double-null mice developed much severe autoimm.ne phenotypes than did Ube2m.null mice,indicating that Ube2m markedly compensates Ube2f in T_(reg)*** m.nor worsened autoimm.ne phenotypes seen at the very early stage in Rbx1&Sag double-null than Rbx1-null mice is likely due to already severe phenotypes of the later,indicating a m.nor compensation of Rbx1 for *** RnA profiling-based analyses revealed that up-and down-regulations of few signaling pathways in T_(reg)cells are associated with the severity of autoimm.ne ***,severer inflammation phenotypes seen in mice with double E3-null than with double E2-null T_(reg)cells indicate a neddylation-independent mechanism of 2 E3s,also known to serve as the RInG component of CRLs in regulation of T_(reg)cell fitness.

关键词： Foxp3 inflammation markedly

Vanadium(V) Complexes Containing Unsymmetrical n-Heterocyclic Carbene Ligands: Highly Efficient Synthesis and Catalytic Behavior towards Ethylene/Propylene Copolymerization

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Chinese Journal of Polymer Science 2024年第1期42卷 32-41,I0006页

作者： yi-Cong Wang Hui Zhat Pei-yi Cheng Shu Zhang Xiang-Wei Liu yi-Xian Wu State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBejing 100029China

The highly efficient method has been developed for the synthesis of nHC·VOCl_(3) containing symmetrical or unsymmetrical nheterocyclic carbene(nHC) ligands by the transmetallation reaction of nHC·AgCl with VOCl_(3).The total isolated yield of VOCl_(3)[1,3-(2,4,6-me_(3)C_(6)H_(2))_(2)(nCH=)_(2)C:](V4') reached 86% by transmetallation reaction,which is much higher than that(48%) by direct coordination *** methodology has also been used to synthesize the novel vanadium complexes containing unsymmetrical nHC ligands of VOCl_(3)[PhCH_(2)nCH=CHnR)C:](V5',R=2,4,6-me_(3)C_(6)H_(2);V6',R=2,4-me_(2)-6-Ph-C_(6)H_(2);V7',R=2,6-^(i)Pr_(2)-C_(6)H_(3)) with high yield,which could not be obtained by direct coordination *** catalytic activity and copolymerization ability would be improved by introducing unsymmetrical nHC ligands due to their less steric bulky *** vanadium complex V5' containing unsymmetrical nHC ligand exhibits higher catalytic activity(3.7×10^(5)g_(copolymer)·mol^(-1) of V·h^(-1)) than that of V4' containing symmetrical nHC ***,the higher propylene incorporation ratio(45.6 mol%) in the copolymers of ethylene with propylene could be obtained by using V5' than that(39.9%) by using V4'.The results would provide a highly efficient strategy for the synthesis of early transition metal complexes containing versitile nHC ligands,affording the catalyst with both high catalytic activity and copolymerization ability for the synthesis of high perform.nce polyolefin elastomers.

关键词： Vanadium complex n-heterocyclic carbene ligand Transmetallation reaction Copolymerization of ethylene with propylene

Embeddings Am.ng Quantum Affine sl_(n)

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Acta mathematica Sinica,English Series 2024年第3期40卷 792-805页

作者： yi Qiang LI Departm.nt of mathematics University at BuffaloThe State University of New YorkBuffaloNY 14260USA

We establish an explicit embedding of a quantum affine sl_(n) into a quantum affine sl_(n)+*** embedding serves as a comm.n generalization of two natural,but seem.ngly unrelated,embed-dings,one on the quantum affine Schur algebra level and the other on the non-quantum *** embedding on the quantum affine Schur algebras is used extensively in the analysis of canonical bases of quantum affine sln and gl_(n).The embedding on the non-quantum level is used crucially in a work of Riche and Williamson on the study of modular representation theory of general linear groups over a finite *** same embedding is also used in a work of maksimau on the categorical representations of affine general linear *** further provide a more natural compatibility statem.nt of the em-bedding on the idempotent version with that on the quantum affine Schur algebra level.A gl_(n)-variant of the embedding is also established.

关键词： Quantum affine sl_(n) embeddings

A FLEXIBLE OBJECTIVE-COnSTRAInT APPROACH AnD A nEW ALGORITHm FOR COnSTRUCTInG THE PARETO FROnT OF mULTIOBJECTIVE OPTImIZATIOn PROBLEmS

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Acta mathematica Scientia 2024年第2期44卷 702-720页

作者： n.HOSEInPOOR m.GHAZnAVI Faculty of mathematical Sciences Shahrood University of TechnologyShahroodIran

In this article, a novel scalarization technique, called the improved objective-constraint approach, is introduced to find efficient solutions of a given multiobjective programm.ng problem. The presented scalarized problem extends the objective-constraint problem. It is dem.nstrated that how adding variables to the scalarized problem, can lead to find conditions for (weakly, properly) Pareto optimal solutions. Applying the obtained necessary and sufficient conditions, two algorithms for generating the Pareto front approximation of bi-objective and three-objective programm.ng problems are designed. These algorithms are easy to implem.nt and can achieve an even approximation of (weakly, properly) Pareto optimal solutions. These algorithms can be generalized for optimization problems with more than three criterion functions, too. The effectiveness and capability of the algorithms are dem.nstrated in test problems.

关键词： multiobjective optimization Pareto front scalarization objective-constraint approach proper efficient solution

Predicting effects of tunnel throttling of annular freeway vehicular flow by a continuum model

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Journal of Traffic and Transportation Engineering(English Edition) 2024年第4期11卷 733-746页

作者： Zhongm.n Huang m.n.Smirnova n.n.Smirnov Zuojin Zhu Faculty of Engineering Science University of Science and Technology of ChinaHefei 230026China Institute of Plasma Physics Hefei Institutes of Physical ScienceChinese Academy of SciencesHefei 230031China Faculty of mechanics and mathematics Lomonosov Moscow State UniversityMoscow 119992Russia

Fluid flow throttling is comm.n in industrial and building services *** tunnel throttling of vehicular flow is caused by the abrupt number reduction of roadway lane,as the tunnel has a lower lane number than in the roadway normal *** predict the effects of tunnel throttling of annular freeway vehicular flow,a three-lane continuum model is ***Ⅲof the tunnel is completely blocked due to the need of tunnel rehabilitation,*** exists m.ndatory net lane-changing rate from laneⅢto laneⅡjust upstream of the tunnel entrance,which is described by a model of random.number generated through a golden section *** net-changing rate between adjacent lanes is modeled using a lane-changing time expressed explicitly in algebraic *** paper assumes that the annular freeway has a total length of 100 km,a two-lane tunnel of length 2 km with a speed limit of 80 km/*** free flow speeds on lanesⅠ,ⅡandⅢare assumed to be 110,100 and 90 km/h *** on the three-lane continuum model,numerical simulations of vehicular flows on the annular freeway with such a tunnel are conducted with a reliable numerical method of 3rd-order *** results reveal that the vehicular flow has a smaller threshold of traffic jam formation in comparison with the case without tunnel *** fuel consumption can be estimated by interpolation with time averaged grid traffic speed and an assumed curve of vehicle *** vehicle fuel consumption is lane number dependent,distributes with initial density concavely,ranging from 5.56 to 8.00 *** throttling leads to an earlier traffic jam formation in comparison with the case without tunnel throttling.

关键词： Effects of tunnel throttling Vehicle fuel consumption Travel time Threshold of traffic jam formation Continuum model