Ridge regression energy levels calculation of neutral ytterbium(Z=70)

In view of the difficulty in calculating the atomic structure parameters of high-Z elements,the Hartree–Fock with relativistic corrections(HFR)theory in combination with the ridge regression(RR)algorithm rather than the Cowan code’s least squares fitting(LSF)method is proposed and applied.By analyzing the energy level structure parameters of the HFR theory and using the fitting experimental energy level extrapolation method,some excited state energy levels of the Yb I(Z=70)atom including the 4f open shell are calculated.The advantages of the ridge regression algorithm are demonstrated by comparing it with Cowan code’s LSF results.In addition,the results obtained by the new method are compared with the experimental results and other theoretical results to demonstrate the reliability and accuracy of our approach.

Doping PCBM with fullerene phosphinate derivatives enhances the interface energy alignment and synergistic passivation capability

Phenyl-C_(61)-butyric acid methyl ester(PCBM) serves as a common electron transport layer(ETL) in inverted p-i-n structure perovskite solar cells(IPSCs),yet energy barriers and insufficient passivation at the PCBM-perovskite interface hinder device effectiveness and durability.In this study,we present a series of novel Fullerene Phenylacid Ester Derivatives(FPEDs:FPP,FTPP,FDPP) incorporated into PCBM.Our investigations illustrate that FPEDs effectively act to passivate the perovskite surface by forming robust interactions with uncoordinated Pb^(2+) ions via the phosphine oxide groups present in their molecular structures,thereby enhancing the stability of the devices.Moreover,these additives elevate the energy level of the lowest unoccupied molecular orbital(LUMO) of ETL,diminish the electron injection barrier,and enhance the efficiency of interlayer electron transport.Incorporating FPEDs enhances ETL coverage on the perovskite layer,reducing leakage current significantly.Notably,Devices with PCBM/FTPP achieved a peak PCE of 23.62% and showed superior stability,maintaining 96,8% of the initial PCE after 500 h,while control devices retained merely 80.7% over the same period.

Improved Calculation of Vibrational Energy Levels in F2 Molecule using the RKR Method

The potential energy curves of the ground state X2∑＋g of the fluorine molecule have been accurately reconstructed employing the Ryderg-Klein-Rees （RKR） method extrapolated by a Hulburt and Hirschfeler potential function for longer internuclear distances. Solving the corresponding radial one-dimensional Schr？dinger equation of nuclear motion yields 22 bound vibrational levels above v=0. The comparison of these theoretical levels with the experimental data yields a mean absolute deviation of about 7.6 cm^-1 over the 23 levels. The highest vibrational level energy obtained using this method is 13308.16 cm？1 and the relative deviation compared with the experimental datum of 13408.49 cm^-1 is only 0.74%. The value from our method is much closer and more accurate than the value obtained by the quantum mechanical ab initio method by Bytautas. The reported agreement of the vibrational levels and dissociation energy with experiment is contingent upon the potential energy curve of the F2 ground state.

Dietary energy sources and levels shift the multi-kingdom microbiota and functions in the rumen of lactating dairy cows

Background: Dietary energy source and level in lactation diets can profoundly affect milk yield and composition.Such dietary effects on lactation performance are underpinned by alteration of the rumen microbiota, of which bacteria, archaea, fungi, and protozoa may vary differently. However, few studies have examined all the four groups of rumen microbes. This study investigated the effect of both the level and source of dietary energy on rumen bacteria, archaea, fungi, and protozoa in the rumen of lactating dairy cows. A 2 × 2 factorial design resulted in four dietary treatments: low and high dietary energy levels(LE: 1.52–1.53;and HE: 1.71–1.72 Mcal/kg dry matter) and two dietary energy sources(GC: finely ground corn;and SFC: steam-flaked corn). We used a replicated 4 × 4 Latin square design using eight primiparous Chinese Holstein cows with each period lasting for 21 d. The rumen microbiota was analyzed using metataxonomics based on kingdom-specific phylogenetic markers [16 S r RNA gene for bacteria and archaea, 18 S r RNA gene for protozoa, and internally transcribed spacer 1(ITS1) for fungi] followed with subsequent functional prediction using PICRUSt2.Results: The GC resulted in a higher prokaryotic(bacterial and archaeal) species richness and Faith's phylogenetic diversity than SFC. For the eukaryotic(fungi and protozoa) microbiota, the LE diets led to significantly higher values of the above measurements than the HE diets. Among the major classified taxa, 23 genera across all the kingdoms differed in relative abundance between the two dietary energy levels, while only six genera(none being protozoal)were differentially abundant between the two energy sources. Based on prokaryotic amplicon sequence variants(ASVs) from all the samples, overall functional profiles predicted using PICRUSt2 differed significantly between LE and HE but not between the two energy sources. Fish Taco analysis identified Ruminococcus and Coprococcus as the taxa potentially contributing to the enriched KEGG pathways for biosynthesis of amino acids and to the metabolisms of pyruvate, glycerophospholipid, and nicotinate and nicotinamide in the rumen of HE-fed cows. The co-occurrence networks were also affected by the dietary treatments, especially the LE and GC diets, resulting in distinct co-occurrence networks. Several microbial genera appeared to be strongly correlated with one or more lactation traits.Conclusions: Dietary energy level affected the overall rumen multi-kingdom microbiota while little difference was noted between ground corn and steam-flaked corn. Some genera were also affected differently by the four dietary treatments, including genera that had been shown to be correlated with lactation performance or feed efficiency.The co-occurrence patterns among the genera exclusively found for each dietary treatment may suggest possible metabolic interactions specifically affected by the dietary treatment. Some of the major taxa were positively correlated to milk properties and may potentially serve as biomarkers of one or more lactation traits.

Effects of Dietary Energy Level on the Expression of the HSL Gene in DifferentTissues of Sheep

A total of 36 four-mon-old hybrid lambs （Dorset×Thin-tailed Han sheep） with similar body weight （BW） were randomly allocated to three dietary treatments with different energy （7.21, 10.33 and 13.49 MJ d-1 ME） but similar protein levels. The animals were slaughtered and subcutaneous fat, longissimus dorsi muscle, femoral biceps muscle and cardiac muscle tissue samples were taken after being treated for 40 d. The samples were then subjected to quantitative PCR to determine mRNA expression of hormone-sensitive lipase （HSL） in different tissues in the laboratory. The findings showed that the abundance of HSL mRNA decreased with the elevation of dietary energy. In the subcutaneous fatty tissue, the HSL mRNA levels showed significant differences among the three groups （P〈0.01）; in the longissimus dorsi and femoral biceps muscles, the HSL mRNA level in the low energy group was significantly higher than that in the moderate and high energy groups （P〈0.01）. In the cardiac muscle, the HSL mRNA level in the moderate energy group was significantly different from the low and high energy groups （P〈0.05）. The number of HSL copies （Qty） in different tissues of sheep was different, it was greater in the subcutaneous fat than in longissimus dorsi muscle, femoral biceps muscle and heart.

Solving Energy Levels for SSH Hamiltonian Describing Peierls Phase Transition by Virtue of Invariant Eigen-operator Method

We show that the recently proposed invariant eigen-operator （IEO） method can be successfully applied to solving energy levels for SSH Hamiltonian describing Peierls phase transition. The electronic energy band of compound lattice is also studied by IEO method.

Distribution of Vibrational Energy Levels of Protein Molecular Chains

The distributions of the quantum vibrational energy levels of the protein molecular chain are found by the discretely nonlinear Schr?dinger equation appropriate to protein obtained from the Davydov theory. The results calculated by this method are basically consistent with the experimental values. Furthermore, the energy spectra at high excited states have also been obtained for the molecular chain which is helpful in researching the properties of infrared absorption and Raman scattering of the protein molecules.

Is HOMO Energy Level a Good Parameter to Characterize Antioxidant Activity

Semiempirical quantum chemical method AM1 was employed to calculate the highest occupied molecular orbital (HOMO) energy levels (E-HOMO) for various types of antioxidants. It was verified that the correlation between logarithm of free radical scavenging rate constants (1gks) and E-HOMO substantially arises from the correlation between E-HOMO and O-H bond dissociation energies (BDE) of antioxidants. Furthermore, E-HOMO were poorly correlated with the logarithm of relative free radical scavenging rate constants (1gk(3)/k(1)) for various types of antioxidants that possess complex structures (r = 0.5602). So in a broad sense, E-HOMO was not an appropriate parameter to characterize the free radical scavenging activity of antioxidants.

Superior surface electron energy level endows WP_(2) nanowire arrays with N_(2) fixation functions

Nitrogen reduction reaction(NRR)under ambient conditions is always a long-standing challenge in science,due to the extreme difficulty in breaking the strong N≡N triple bond.The key to resolving this issue undoubtedly lies in searching superior catalysts to efficiently activate and hydrogenate the stable nitrogen molecules.We herein evaluate the feasibility of WP_(2) for N2 activation and reduction,and first demonstrate WP_(2) with an impressive ammonia yield rate of 7.13 lg h^(-1)cm^(-2),representing a promising W-based catalyst for NRR.DFT analysis further reveals that the NRR catalysis on WP_(2) proceeds in a distal reaction pathway,and the exceptional NRR activity is originated from superior surface electron energy level matching between WP_(2) and NRR potential which facilitates the interfacial proton-coupled electron transfer dynamics.The successfully unraveling the intrinsic catalytic mechanism of WP_(2) for NRR could offer a powerful platform to manipulate the NRR activity by tuning the electron energy levels.

Energy levels and states of parabolic cylindrical lens shaped quantum dots

The parabolic cylindrical lens shaped quantum dot is investigated theoretically. The Schrǒdinger equation for an electron confined in this structure is solved in the parabolic cylindrical coordinate system. The wavefunctions for the electron are presented in terms of confluent hypergeometric functions, and the electron energy spectra are also obtained.

Defect suppression and energy level alignment in formamidinium-based perovskite solar cells

The vast majority of high-performance perovskite solar cells(PSCs) are based on a formamidinium lead iodide(FAPbI_(3))-dominant composition. Nevertheless, the FA-based perovskite films suffer from undesirable phase transition and defects-induced non-ideal interfacial recombination, which significantly induces energy loss and hinders the improvement of device performance. Herein, we employed 4-fluorophenylmethylammonium iodide(F-PMAI) to modulate surface structure and energy level alignment of the FA-based perovskite films. The superior optoelectronic films were obtained with reduced trap density, pure α-phase FAPbI_(3) and favorable energy band bending. The lifetime of photogenerated charge carriers increased from 489.3 ns to 1010.6 ns, and a more “p-type” perovskite film was obtained by the post-treatment with F-PMAI. Following this strategy, we demonstrated an improved power conversion efficiency of 22.59% for the FA-based PSCs with an open-circuit voltage loss of 399 m V.

Energy Level of Three-Mode Harmonic Oscillator for Coordinate Operators Satisfying Cyclic Commutative Relations Obtained by IEO Method

Eigenvalue-solution to those Hamiltonians involving non-commutative coordinates is not easily obtained. In this paper we apply the invariant eigen-operator （IEO） method to solving the energy spectrmn of the three-mode harmonic oscillator in non-commutative space with the coordinate operators satisfying cyclic commutative relations, [X1, X2] = [X2, X3]=[X3, X1] = iθ, and this method seems effective and concise.

Calculation of Rydberg energy levels for the francium atom

Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of the nP^2P^o1/2 （n=7-50） and np^2P^o3/2 （n=7-50） spectrum series for the francium atom are calculated. The calculated results are in excellent agreement with the 48 measured levels, and 40 energy levels for highly excited states are predicted.

Effects of Different Dietary Energy and Protein Levels on Meat Performance and Meat Quality of Jinghai Yellow Chickens

To investigate the effect of different dietary energy and protein levels on meat performance and meat quality of Jinghai yellow chickens, 480 43-day old Jinghai yellow chickens with similar weight were randomly divided into four experimental groups： experimental group 1 （protein 15%, metabolic energy 9.95 MJ/kg）, experimental group 2 （protein 16%, metabolic energy 10.95 MJ/kg）, experimental group 3 （protein 17%, metabolic energy 12.65 MJ/kg） and experimental group 4 （ protein 18%, metabolic energy 13.95 MJ/kg）, respectively. All chickens were slaughtered at 112-day old. The breast and leg muscles of Jinghai yellow chickens were collected, to determine the slaughter performance, conventional meat quality and muscle chemical indicators. The results indicated that dressing-out percentage and eviscerated yield percentage in four experimental groups were above 87.27% and 67.00%, respectively; other slaughter performance indicators exhibited no significant differences among various groups （P 〉 0.05 ） ; breast muscle color of hens in experimental group 4 varied significantly from that in other three groups （ P 〈 0.05 ） ; leg muscle color of hens in experimental group 2 varied extremely significantly from that in other three groups （ P 〈 0.01 ） ; water-holding capacity of breast muscles of hens in experimental group 3 was significantly higher than that in experimental group 4 （P 〈 0.05 ） ; thiamine content of breast muscles of cocks in experimental group 3 was significandy higher than that in experimental group 2 （ P 〈 0.05 ） ; however, other properties exhibited no significant differenees among various groups （P 〉 0.05 ）.

The Quantum Condition That Should Have Been Assumed by Bohr When Deriving the Energy Levels of a Hydrogen Atom

Bohr assumed a quantum condition when deriving the energy levels of a hydrogen atom. This famous quantum condition was not derived logically, but it beautifully explained the energy levels of the hydrogen atom. Therefore, Bohr’s quantum condition was accepted by physicists. However, the energy levels predicted by the eventually completed quantum mechanics do not match perfectly with the predictions of Bohr. For this reason, it cannot be said that Bohr’s quantum condition is a perfectly correct assumption. Since the mass of an electron which moves inside a hydrogen atom varies, Bohr’s quantum condition must be revised. However, the newly derived relativistic quantum condition is too complex to be assumed at the beginning. The velocity of an electron in a hydrogen atom is known as the Bohr velocity. This velocity can be derived from the formula for energy levels derived by Bohr. The velocity v of an electron including the principal quantum number n is given by αc/n. This paper elucidates the fact that this formula is built into Bohr’s quantum condition. It is also concluded in this paper that it is precisely this velocity formula that is the quantum condition that should have been assumed in the first place by Bohr. From Bohr’s quantum condition, it is impossible to derive the relativistic energy levels of a hydrogen atom, but they can be derived from the new quantum condition. This paper proposes raising the status of the previously-known Bohr velocity formula.

Influence of Energy Level Matching on Device Performances of Organic Light-emitting Diodes

Through experiments and computer simulation,the influence of the energy levels of organic materials and electrode materials in the organic light-emitting diodes (OLEDs) on the device performances is discussed.Results show that the device performances are influenced by not only the carrier injection barriers at the electrode interface but also the barriers at the organic heterojunction interface.This result is helpful to the selection of the organic materials and their arrangement in the optimal design of OLEDs.

Variation of the Observed Widths of La I Lines with the Energy of the Upper Excited Levels, Demonstrated on Previously Unknown Energy Levels

We performed systematic laser spectroscopic investigations of La I spectral lines, using optogalvanic detection. Sixteen previously unknown even parity levels, having energies between 40,300 and 44,300 cm-1, are reported. These levels classify altogether 67 lines, not listed in spectral tables. The new levels were found due to the observation of the depopulation of the lower levels of the excited transitions. We found a remarkable variation of the observed widths of single hyperfine structure components dependent on the energy of the upper excited levels. Some levels having energies higher than 43,000 cm-1 appear to have a very high ionization probability.

Energy Levels of Coupled Plasmonic Cavities

We demonstrate the hybridization of the plasmonic modes in directly coupled whispering gallery cavities fabricated on silver films and present the mode patterns and energy levels using cathodoluminescence spectroscopy. Although the energy of the most antisymmetrically coupled modes is higher than that of the corresponding symmetrically coupled ones, the contrary cases happen for small quantum number modes. We attribute the phenomenon to the different surface plasmon polariton paths between the symmetrically and antisymmetrically coupled modes; These results provide an understanding of the resonant properties in coupled plasmonic cavities, which have potential applications in nanophotonic devices.

Effects of Dietary Energy Level and Source on Blood Metabolites,Hormone Secretion and Follicular Fluid Composition in Gilts

The objective of the study was to investigate the effects of dietary energy levels and sources on the blood metabolites,hormone secretion and the composition of follicular fluid in gilts.Fifty-four gilts with initial body weight of(59±4.2) kg were randomly allotted to six treatments.Treatments were low, normal,and high energy feeding levels,which were 87.5%,100%and 112.5%of recommendatory energy requirements by NRC(1998),respectively,and dietary energy sources(starch or fat).Blood samples and follicular fluids were collected on D18 and D19 of the second estrous cycle.The results showed that plasma concentrations of triglycerides and total cholesterol were higher in the fat group than that in the starch group(P【0.05),but those of glucose were similar between the two energy sources(P】0.05);dietary energy level exerted no effect on blood metabolites concentration(P】0.05).Gilts fed the high energy diet had a higher area under curve of plasma insulin(Insulin AUC),insulin-like growth factor-Ⅰ(IGF-Ⅰ) and leptin than did gilts fed the lower energy diet(P【0.05),but there was no significant difference between fat versus starch(P】0.05).Luteinizing hormone(LH) pulses were higher in gilts fed high energy rather than that in low energy diets(P】0.05),plasma concentration of estradiol(E2) was higher in the fat group than that in the starch group(P【0.05).The number of large follicles(diameter≥4 mm) and concentrations of IGF-Ⅰand E2 in follicular fluid were increasing significant as the level of energy increased(P【0.05),but the numbers of large follicles and follicular fluid composition were not affected by the source of dietary energy(P】0.05).The results indicate that gilts fed high energy diets had elevated plasma concentrations of metabolic hormones,IGF-Ⅰand LH secretion,and increased follicular fluid concentrations of IGF-Ⅰ,E2 and numbers of large follicles;gilts fed the dietary fat had a higher plasma concentration of cholesterol and E2.

Optical Properties, Electronic Energy Level Structure and Electroluminescent Characteristics of Salicylaldehyde Anil Zinc

A new electroluminescent material, salicylaldehyde anil zinc （SAZ） was synthesized, which can form high quality, thermal stability, nano-scale amorphous films by vacuum evaporation. Its structure, thermal stability were characterized by infrared （IR） spectra, differential thermal analysis-thermogravimetry （DTA-TG） analysis, respectively. The optical properties of SAZ were investigated by UV absorption spectra, Photoluminescence （PL） excitation and emission spectra. The highest occupied molecular orbits （HOMO）, lowest unoccupied molecular orbits （LUMO） and optical band gap were evaluated by cyclic voltammetry curve and optical absorption band edge. The electroluminescent devices using SAZ as the emissive layer emit green light with a peak wavelength at 509 nm and a brightness of about 3.1 cd/m^2.