Synthesis, Characterization and Bioactivity of Complexes of Rare Earth with Bis-Schiff Base from Furoylpyrazolone

Eleven new complexes of rare earths with bis-Schiff base derived from N,N'-bis[(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl) alpha-furylmethylidyne] ethylenediimine ((HPM alpha FP)(2)en) were synthesized. On the basis of elemental analysis and molar conductance, a general formula of the complexes, [RE(HPM alpha FP)(2)en(NO3)(2)]NO3(RE = La, Pr, Nd, Sm, Eu, Th, Dy, Ho, Er, Yb,Y), was given. The complexes were characterized by IR, UV-visible, H-1 NMR, C-13 NMR and fluorescence. The results show that the bis-Schiff base is a quadridentate ligand and the rare earth ions exhibit coordination of eight in the complexes. The antibacterial experiments indicate that they have high antibacterial activities against S. aureus, B. subtillis, E. coli, E. carotovora, C. flaccumfaciens.

Synthesis,Crystal Structure and Quantum Chemical Investigation of Bis-Schiff Base Compounds Derived from2-phenyl-1,2,3-triazole-4-carboxaldehyde with Diamine

Two new schiff base N,N＇-bis（（2-phenyl-2H-1,2,3-triazol-4-yl）methylene）-1,3-propanediamine （1） and N,N＇-bis（（2-phenyl-2H-1,2,3-triazol-4-yl）methylene） -1,4-butanediamine （2） were synthesized by condensation of 2-phenyl-1,2,3-triazole-4-carboxaldehyde with diamine, and characterized by elemental analysis, IR, IH NMR and MS spectra. Their crystal structures were determined by X-ray single crystal diffraction. Both crystals belong to the monoclinic system, space group P21/c. For compound 1（C21H20N8, Mr=384.45）： a = 16.314（3）, b =5.7168（11）, c = 21.316（4） A, β = 105.3（2）°, Z = 4, V = 1917.6（7） A^3, De =1.332 g/cm^3, F（000） = 808,μ = 0.086 mm 1, R = 0.0533 and wR = 0.1460; for compound 2 （C22H22N8, Mr=398.48）： a = 8.6156（17）, b = 5.2964（11）, c = 22.665（5）A, β = 100.54（3）°, Z = 2, V = 1016.8（4） A^3, De= 1.302 g/cm^3, F （000） = 420, μ = 0.083 mm^-1, R = 0.0373 and wR = 0.1155. Based on the crystal data, quantum chemistry calculation was performed on the two title compounds by means of Gaussian 98 program. The molecular orbital energies and atomic net charges population were obtained. Furthermore, we antilyzed their active atoms. The investigation can serve as a theoretical guide to study the synthesis and activity of the title compounds.

Green Synthesis of New Tetra Schiff Bases and Bis-Azo Bis-Schiff Bases Derived from 2,6-Diaminopyridine as Promising Photosensitizers

Nine new tetra Schiff bases (M2 - M9) were prepared in moderate yields via the condensation of different aromatic amines and bis-Schiff base (M1) in microwave synthesizer. Also five new azo-Schiff bases (M16 - M20) were prepared by the condensation of (M1) with the azo-salicylaldehyde (M11 - M15) using the same method. The green synthesis by microwave irradiation was chosen as route due to its novelty, cleanliness, efficiency, time and solvent saving properties compared with the conventional methods which lack these advantages;such as time consume and wasting environment polluting organic solvents to achieve the same efficiency in synthesis. The prepared compounds which are believed by us to be competent as photosensitizers in photochemical systems were identified by IR and NMR spectroscopy besides elemental analysis.

Dioxygen Affinities and Biomimetic Catalytic Oxidation Performance of Transition-metal Complexes with Unsymmetrical Bis-Schiff Bases

The oxygenation constants and thermodynamic parameter (ΔHo, ΔSo) of Co (II) complexes with unsymmetrical bis-Schiff baeses were measured and their Mn(III) complexes as models of mimicking monooxygenase were employed to catalyze epoxidation of styrene. The effect of substituent R in a salicylidene of ML1~ML4 [ M = Co (II), Mn (III)Cl ] on the dioxygen affinities and biomimetic catalytic oxidation performance were also investigated. Among them, the MnL4Cl containing a pendant benzoaza crown ether ring showed highest conversion and selectiviy up to 54.9% and 96.9% respectively.

Imaging characteristics and treatment strategies for carotid artery occlusion caused by skull base fracture:Three case reports

BACKGROUND Traumatic internal carotid artery(ICA)occlusion is a rare complication of skull base fractures,characterized by high mortality and disability rates,and poor prognosis.Therefore,timely discovery and correct management are crucial for saving the lives of such patients and improving their prognosis.This article retrospectively analyzed the imaging and clinical data of three patients,to explore the imaging characteristics and treatment strategies for carotid artery occlusion,combined with severe skull base fractures.CASE SUMMARY This case included three patients,all male,aged 21,63,and 16 years.They underwent plain film skull computed tomography(CT)examination at the onset of their illnesses,which revealed fractures at the bases of their skulls.Ultimately,these cases were definitively diagnosed through CT angiography(CTA)examinations.The first patient did not receive surgical treatment,only anticoagulation therapy,and recovered smoothly with no residual limb dysfunction(Case 1).The other two patients both developed intracranial hypertension and underwent decompressive craniectomy.One of these patients had high intracranial pressure and significant brain swelling postoperatively,leading the family to choose to take him home(Case 2).The other patient also underwent decompressive craniectomy and recovered well postoperatively with only mild limb motor dysfunction(Case 3).We retrieved literature from PubMed on skull base fractures causing ICA occlusion to determine the imaging characteristics and treatment strategies for this type of disease.CONCLUSION For patients with cranial trauma combined with skull base fractures,it is essential to complete a CTA examination as soon as possible,to screen for blunt cerebrovascular injury.

Base Pressure Control with Semi-Circular Ribs at Critical Mach Number

When better fuel-air mixing in the combustion chamber or a reduction in base drag are required in vehicles,rockets,and aeroplanes,the base pressure control is activated.Controlling the base pressure and drag is necessary in both scenarios.In this work,semi-circular ribs with varying diameters(2,4,and 6 mm)positioned at six distinct positions(0.5D,1D,1.5D,2D,3D,and 4D)inside a square duct with a side of 15 mm are proposed as an efficient way to apply the passive control technique.In-depth research is done on optimising rib size for various rib sites.According to this study,the base pressure rises as rib height increases.Furthermore,the optimal location for the semi-circular ribs with a diameter of 2 mm is at 0.5D.The 1D location appears to be optimal for the 4 mm size as well.For the 6 mm size,however,the 4D position fills this function.

Influence of external nitrogen-containing donors on polymerization behavior of neodymium-based cis-1,4-polybutadiene rubber

Neodymium(Nd)-based catalyst in butadiene(Bd)polymerization has drawn interests due to its availability in affording higher cis-1,4-unit selectivity than transition metal(Ti,Co,Ni,etc.)-based catalysts[1-2].Such outstanding high cis-1,4-unit selecti-vity is hypothetically originated from the presence of 4 f orbitals,that can participate in monomer coordination and thereby govern subsequent enchainment manners.This unique characteristic also renders the active species highly susceptible to Lewis bases,and may impact the overall selectivity as well as polyme-rization behavior after coordination.Nevertheless,it is still a virgin area in such a field,and the influence of Lewis bases on Nd-based diene polymerizations is still a black box.Based on this consideration,how nitrogen-containing donors(D)impacts the overall behaviors of Nd-mediated Bd polymerizations is disclosed.

The Evaluation of the Dietary Habits Influence on the Microhardness of Gingiva-Coloured Composite and Acrylic Denture Base Materials

Purpose: The study investigated the impact of dietary habits, specifically soda, milk kefir, water kefir, almond milk, and distilled water (control) consumption, on the microhardness of gingiva-coloured composite and acrylic denture bases. Methods: Materials included gingiva-coloured composite (Fusion Universal G1), acrylic (Imicryl), and subdivided Procryla group. Subgroups comprised 15 and 30-minute heat polymerized (Pro15, Pro30), and 1 wt% (Pro1Z) and 3 wt% (Pro3Z) zirconium added groups. Immersed in beverages for 1, 7, and 14 days, pH and microhardness were assessed. SEM examined random samples. Statistical analysis used repeated measures ANOVA, and post hoc tests (p Results: The gingiva-coloured composites displayed noteworthy time-associated microhardness changes (p 0.05). Despite variable pH levels in beverages, no substantial group interaction effects were observed (p > 0.05). Initial microhardness rankings shifted after a 14-day immersion. Conclusions: Gingiva-coloured composite exhibited the highest microhardness pre- and post-immersion, followed by Procryla30 and Imicryl groups. .

Prediction of Damping Capacity Demand in Seismic Base Isolators via Machine Learning

Base isolators used in buildings provide both a good acceleration reduction and structural vibration control structures.The base isolators may lose their damping capacity over time due to environmental or dynamic effects.This deterioration of them requires the determination of the maintenance and repair needs and is important for the long-termisolator life.In this study,an artificial intelligence prediction model has been developed to determine the damage and maintenance-repair requirements of isolators as a result of environmental effects and dynamic factors over time.With the developed model,the required damping capacity of the isolator structure was estimated and compared with the previously placed isolator capacity,and the decrease in the damping property was tried to be determined.For this purpose,a data set was created by collecting the behavior of structures with single degrees of freedom(SDOF),different stiffness,damping ratio and natural period isolated from the foundation under far fault earthquakes.The data is divided into 5 different damping classes varying between 10%and 50%.Machine learning model was trained in damping classes with the data on the structure’s response to random seismic vibrations.As a result of the isolator behavior under randomly selected earthquakes,the recorded motion and structural acceleration of the structure against any seismic vibration were examined,and the decrease in the damping capacity was estimated on a class basis.The performance loss of the isolators,which are separated according to their damping properties,has been tried to be determined,and the reductions in the amounts to be taken into account have been determined by class.In the developed prediction model,using various supervised machine learning classification algorithms,the classification algorithm providing the highest precision for the model has been decided.When the results are examined,it has been determined that the damping of the isolator structure with the machine learning method is predicted successfully at a level exceeding 96%,and it is an effective method in deciding whether there is a decrease in the damping capacity.

New construction of mutually unbiased bases for odd-dimensional state space

We study the construction of mutually unbiased bases in Hilbert space for composite dimensions d which are not prime powers.We explore the results for composite dimensions which are true for prime power dimensions.We then provide a method for selecting mutually unbiased vectors from the eigenvectors of generalized Pauli matrices to construct mutually unbiased bases.In particular,we present four mutually unbiased bases in C^(15).

Role of micro-Ca/In alloying in tailoring the microstructural characteristics and discharge performance of dilute Mg-Bi-Sn-based alloys as anodes for Mg-air batteries

The influence of micro-Ca/In alloying on the microstructural charac teristics,electrochemical behaviors and discharge properties of extruded dilute Mg-0.5Bi-0.5Sn-based(wt.%)alloys as anodes for Mg-air batteries are evaluated.The grain size and texture intensity of the Mg-Bi-Sn-based alloys are significantly decreased after the Ca/In alloying,particularly for the In-containing alloy.Note that,in addition to nanoscale Mg_(3)Bi_(2)phase,a new microscale Mg_(2)Bi_(2)Ca phase forms in the Ca-containing alloy.The electrochemical test results demonstrate that Ca/In micro-alloying can enhance the electrochemical activity.Using In to alloy the Mg-Bi-Sn-based alloy is effective in restricting the cathodic hydrogen evolution(CHE)kinetics,leading to a low self-corrosion rate,while severe CHE occurred after Ca alloying.The micro-alloying of Ca/In to Mg-Bi-Sn-based alloy strongly deteriorates the compactness of discharge products film and mitigates the"chunk effect"(CE),hence the cell voltage,anodic efficiency as well as discharge capacity are greatly improved.The In-containing alloy exhibits outstanding discharge performance under the combined effect of the modified microstructure and discharge products,thus making it a potential anode material for primary Mg-air battery.

Laboratory Evaluation of Performance Recovery of Aged SBS-modified Asphalt Using Regenerants with Different Base Oil Components

In this study,the regenerative effects of different regenerants on aged SBS-modified asphalt from different perspectives were investigated,including their conventional properties,viscoelastic behavior,creep-related properties,and micromorphology.Base oils composed of different proportions of aromatic and saturated hydrocarbons as well as the styrene-butadiene-styrene(SBS)restorer were used to prepare the regenerants.The results showed that the components of the base oil of the regenerant played a crucial role in determining the characteristics and performance of the recycled SBSmodified asphalt.Regenerants containing a high proportion of aromatics dissolved the hard segment in the SBS restorer,thereby delaying the effect of a reduction in the regenerants on the performance of the aged asphalts at a high temperature.Regenerants containing a high proportion of saturates dissolved the soft segment in the SBS restorer to enhance the lowtemperature performance of the recycled asphalts.In addition,the stress sensitivity of the recycled asphalts increased with the fraction of aromatics in the regenerant.As the aromatic content of the base oil components of the regenerants increased and their saturate content decreased,the state of dispersion of the SBS phase in the recycled SBS-modified asphalts improved.The optimal content of aromatics in the base oil of the regenerants should be set in the range of 33%to 47%to ensure the adequate performance of the recycled asphalts and a high efficiency of the SBS restorer.

Prediction of Lubricant Physicochemical Properties Based on Gaussian Copula Data Expansion

The composition of base oils affects the performance of lubricants made from them.This paper proposes a hybrid model based on gradient-boosted decision tree(GBDT)to analyze the effect of different ratios of KN4010,PAO40,and PriEco3000 component in a composite base oil system on the performance of lubricants.The study was conducted under small laboratory sample conditions,and a data expansion method using the Gaussian Copula function was proposed to improve the prediction ability of the hybrid model.The study also compared four optimization algorithms,sticky mushroom algorithm(SMA),genetic algorithm(GA),whale optimization algorithm(WOA),and seagull optimization algorithm(SOA),to predict the kinematic viscosity at 40℃,kinematic viscosity at 100℃,viscosity index,and oxidation induction time performance of the lubricant.The results showed that the Gaussian Copula function data expansion method improved the prediction ability of the hybrid model in the case of small samples.The SOA-GBDT hybrid model had the fastest convergence speed for the samples and the best prediction effect,with determination coefficients(R^(2))for the four indicators of lubricants reaching 0.98,0.99,0.96 and 0.96,respectively.Thus,this model can significantly reduce the model’s prediction error and has good prediction ability.

Improving Satellite-Retrieved Cloud Base Height with Ground-Based Cloud Radar Measurements

Cloud base height(CBH) is a crucial parameter for cloud radiative effect estimates, climate change simulations, and aviation guidance. However, due to the limited information on cloud vertical structures included in passive satellite radiometer observations, few operational satellite CBH products are currently available. This study presents a new method for retrieving CBH from satellite radiometers. The method first uses the combined measurements of satellite radiometers and ground-based cloud radars to develop a lookup table(LUT) of effective cloud water content(ECWC), representing the vertically varying cloud water content. This LUT allows for the conversion of cloud water path to cloud geometric thickness(CGT), enabling the estimation of CBH as the difference between cloud top height and CGT. Detailed comparative analysis of CBH estimates from the state-of-the-art ECWC LUT are conducted against four ground-based millimeter-wave cloud radar(MMCR) measurements, and results show that the mean bias(correlation coefficient) is0.18±1.79 km(0.73), which is lower(higher) than 0.23±2.11 km(0.67) as derived from the combined measurements of satellite radiometers and satellite radar-lidar(i.e., Cloud Sat and CALIPSO). Furthermore, the percentages of the CBH biases within 250 m increase by 5% to 10%, which varies by location. This indicates that the CBH estimates from our algorithm are more consistent with ground-based MMCR measurements. Therefore, this algorithm shows great potential for further improvement of the CBH retrievals as ground-based MMCR are being increasingly included in global surface meteorological observing networks, and the improved CBH retrievals will contribute to better cloud radiative effect estimates.

Elastic wave insulation and propagation control based on the programmable curved-beam periodic structure

Curved-beams can be used to design modular multistable metamaterials(MMMs)with reprogrammable material properties,i.e.,programmable curved-beam periodic structure(PCBPS),which is promising for controlling the elastic wave propagation.The PCBPS is theoretically equivalent to a spring-oscillator system to investigate the mechanism of bandgap,analyze the wave propagation mechanisms,and further form its geometrical and physical criteria for tuning the elastic wave propagation.With the equivalent model,we calculate the analytical solutions of the dispersion relations to demonstrate its adjustability,and investigate the wave propagation characteristics through the PCBPS.To validate the equivalent system,the finite element method(FEM)is employed.It is revealed that the bandgaps of the PCBPS can be turned on-and-off and shifted by varying its physical and geometrical characteristics.The findings are highly promising for advancing the practical application of periodic structures in wave insulation and propagation control.

Solid-state NMR of the retinal protonated Schiff base in microbial rhodopsins

Rhodopsin is a seven-helical transmembrane protein with a retinal chromophore covalently bound to a conserved lysine in helix G via a retinal protonated Schiff base(RPSB).Microbial rhodopsins absorb light through chromophore and play a fundamental role in optogenetics.Numerous microbial rhodopsins have been discovered,contributing to diverse functions and colors.Solid-state NMR spectroscopy has been instrumental in elucidating the conformation of chromophores and the three-dimensional structure of microbial rhodopsins.This review focuses on the 15N chemical shift values of RPSB and summarizes recent progress in the field.We displayed the correlation between the 15N isotropic chemical shift values of RPSB and the maximum absorption wavelength of rhodopsin using solid-state NMR spectroscopy.

RoBGP:A Chinese Nested Biomedical Named Entity Recognition Model Based on RoBERTa and Global Pointer

Named Entity Recognition(NER)stands as a fundamental task within the field of biomedical text mining,aiming to extract specific types of entities such as genes,proteins,and diseases from complex biomedical texts and categorize them into predefined entity types.This process can provide basic support for the automatic construction of knowledge bases.In contrast to general texts,biomedical texts frequently contain numerous nested entities and local dependencies among these entities,presenting significant challenges to prevailing NER models.To address these issues,we propose a novel Chinese nested biomedical NER model based on RoBERTa and Global Pointer(RoBGP).Our model initially utilizes the RoBERTa-wwm-ext-large pretrained language model to dynamically generate word-level initial vectors.It then incorporates a Bidirectional Long Short-Term Memory network for capturing bidirectional semantic information,effectively addressing the issue of long-distance dependencies.Furthermore,the Global Pointer model is employed to comprehensively recognize all nested entities in the text.We conduct extensive experiments on the Chinese medical dataset CMeEE and the results demonstrate the superior performance of RoBGP over several baseline models.This research confirms the effectiveness of RoBGP in Chinese biomedical NER,providing reliable technical support for biomedical information extraction and knowledge base construction.

Buckling Optimization of Curved Grid Stiffeners through the Level Set Based Density Method

Stiffened structures have great potential for improvingmechanical performance,and the study of their stability is of great interest.In this paper,the optimization of the critical buckling load factor for curved grid stiffeners is solved by using the level set based density method,where the shape and cross section(including thickness and width)of the stiffeners can be optimized simultaneously.The grid stiffeners are a combination ofmany single stiffenerswhich are projected by the corresponding level set functions.The thickness and width of each stiffener are designed to be independent variables in the projection applied to each level set function.Besides,the path of each single stiffener is described by the zero iso-contour of the level set function.All the single stiffeners are combined together by using the p-norm method to obtain the stiffener grid.The proposed method is validated by several numerical examples to optimize the critical buckling load factor.

Simulation of Haloxylon Ammodendron Stand Basic Diameter Structure Based on Fuzzy Distribution Function

Based on the investigation data of 12 Haloxylon ammodendron plots in the south edge of Gurbantunggut Desert, Fuzzy distribution was introduced into the study of Haloxylon ammodendron base diameter structure fitting according to the consistency between the characteristics of Fuzzy distribution function and the distribution series of cumulative percentage of stand base diameter, and the fitting precision and effect of Fuzzy distribution function were discussed. The root mean square error RMSE and determination coefficient R2 values showed that Fuzzy-Γ1, Fuzzy-Γ2, Fuzzy-Γ3, Fuzzy-Γ4 had good fitting performance, among which Fuzzy-Γ1 had relatively high fitting precision, and its parameters were closely related to stand age and density, Fuzzy-Γ2 distribution function was the second, and Fuzzy-Γ4 distribution function had the worst fitting effect. By introducing a parameter c from the similarity of four distribution function formulas, a generalized Fuzzy distribution function Fuzzy-Γ5 is obtained. This function shows the highest fitting accuracy. Most of the values of parameter c are near 1 or 2, which shows that the diameter distribution is mainly approximate to Fuzzy-Γ1 and Fuzzy-Γ2.

Preparation of palladium-based catalyst by plasma-assisted atomic layer deposition and its applications in CO_(2) hydrogenation reduction

Supported Pd catalyst is an important noble metal material in recent years due to its high catalytic performance in CO_(2)hydrogenation.A fluidized-bed plasma assisted atomic layer deposition(FP-ALD) process is reported to fabricate Pd nanoparticle catalyst over γ-Al_(2)O_(3)or Fe_(2)O_(3)/γ-Al_(2)O_(3)support,using palladium hexafluoroacetylacetonate as the Pd precursor and H_(2)plasma as counter-reactant.Scanning transmission electron microscopy exhibits that highdensity Pd nanoparticles are uniformly dispersed over Fe_(2)O_(3)/γ-Al_(2)O_(3)support with an average diameter of 4.4 nm.The deposited Pd-Fe_(2)O_(3)/γ-Al_(2)O_(3)shows excellent catalytic performance for CO_(2)hydrogenation in a dielectric barrier discharge reactor.Under a typical condition of H_(2)to CO_(2)ratio of 4 in the feed gas,the discharge power of 19.6 W,and gas hourly space velocity of10000 h^(-1),the conversion of CO_(2)is as high as 16.3% with CH_(3)OH and CH4selectivities of 26.5%and 3.9%,respectively.