Principal Bond Research Articles

Profitability, Liquidity, and Company Size Ratios on Bond Ratings in Banking Companies

Bond rating is an indicator of timeliness of payment of principal interest and bond payable. Previous research on the factor that affect bond rating still has some research gap, therefore it is necessary to re-examine the factor that affect bond rating. These studies aim to determine the effect of profitability, liquidity and firm size on bond rating in banking companies listed in IDX 2016- 2021. This type of research is quantitative research. The population used in the research are 37 banking companies listed on IDX 2016-2021. The sample collection technique used in this study is purposive sampling, wich resulted in 12 banking companies. The analysis technique used in this study was panel data analysis with the program Eviews 12. Based on the result of the study, it is shown that parallel, profitability and liquidity have no effect on bond rating, while company size have a positive significant.

Molecular Structure of 1-Isocyano-1-silacyclopent-3-ene: A Combined Microwave Spectral and Theoretical Study.

The microwave spectrum of 1-isocyano-1-silacyclopent-3-ene has been obtained from broad-band chirped-pulse Fourier transform microwave spectroscopy. The rotational constants (RCs) for the standard abundant isotopic species are A = 3328.4182(23), B = 1017.69404(53), and C = 1012.33297(58) MHz. The symmetric quartic centrifugal distortion constants, using the Ir representation in CS symmetry for ΔJ,ΔJK, ΔK, and δJ, have been evaluated; similarly, the 14N nuclear quadrupole coupling has been determined. Several singly substituted isotopologues observed in natural abundance enabled most of the heavy atom substructure to be determined. The five-membered ring is close to planar, but the orientation of the isocyanate unit, derived from the N13CO spectrum, unexpectedly lies above the ring center in a cis C2,5-Si-N═C conformation. Our initial equilibrium structural searches led to a trans orientation of the C2,5-Si-N═C unit, i.e., bending away from the ring. When the cis conformation was applied, the final equilibrium structure, assuming CS symmetry, gave RC values of 3221.3 ( A), 1037.0 ( B), and 1031.3 ( C) MHz, very close to the MW values. This enabled the full-equilibrium structure to be determined with confidence. The principal bond lengths were 1.7157 (Si-N), 1.8696 (Si-C), 1.1998 (N═C), and 1.1737 (C═O) Å, with angles 163.3 (Si-N═C), 178.1 (N═C═O), 96.5 (C-Si-C), and 118.7° (C-C═C), respectively. The extensive widening of the SiNC angle is particularly notable; the SiNCO unit has a trans dihedral angle. The cis orientation implies a (weak) attractive force between the ring and isocyanate groups by a through-space interaction. An atoms in molecule study, where the local minima of electron density are determined, fails to disclose the exact nature of the interaction; however, a highly polarized skeleton was obtained. A systematic theoretical study of the Si-N═C angle potential energy surface (PES) relative to the ring gave a very shallow double minimum with the barrier being less than 1 cm-1; a polynomial fit to the surface shows major contributions of both harmonic and quartic components. A similar study of the XSiN angle, where X is at the ring center, also gave a PES with considerable quartic character.

Securitization product design for China's environmental pollution liability insurance.

The environmental catastrophic accidents in China over the last three decades have triggered implementation of myriad policies by the government to help abate environmental pollution in the country. Consequently, research into environmental pollution liability insurance and how that can stimulate economic growth and the development of financial market in China is worthwhile. This study attempts to design a financial derivative for China's environmental pollution liability insurance to offer strong financial support for significant compensation towards potential catastrophic environmental loss exposures, especially losses from the chemical industry. Assuming the risk-free interest rate is 4%, the market portfolio expected return is 12%; the financial asset beta coefficient is 0.5, by using the capital asset pricing model (CAPM) and cash flow analysis; the principal risk bond yields 9.4%, single-period and two-period prices are 103.85 and 111.58, respectively; the principal partial-risk bond yields 10.09%, single-period and two-period prices are 103.85 and 111.58, respectively; and the principal risk-free bond yields 8.94%, single-period and two-period prices are 107.99 and 115.83, respectively. This loss exposure transfer framework transfers the catastrophic risks of environmental pollution from the traditional insurance and reinsurance markets to the capital market. This strengthens the underwriting capacity of environmental pollution liability insurance companies, mitigates the compensation risks of insurers and reinsurers, and provides a new channel to transfer the risks of environmental pollution.

Investigating the nature of intermolecular and intramolecular bonds in noble gas containing molecules

This article presents a theoretical study on a number of selected noble gas containing systems of the general formula FNgR and NgR (Ng = He, Ne, Ar, Kr, Xe and R = CH3, CN, CCH, BO, BNH, H, BeO, and AuF). The principal structures, bond energies, spectroscopic, and electronic properties of 28 noble gas containing molecules were investigated using density functional theory at the BMK level. Quantum theory of atoms in molecules, natural bond orbital, and several other analysis methods have been used to provide more insight into the nature of noble gas bonds. Although both FNg and NgR bonds in the investigated molecules are assigned to have partially covalent and partially electrostatic nature, the covalent character is dominant in NgR bonds. In the second part, the intermolecular interactions between FNgR molecules and hydrogen fluoride are overviewed with emphasis on the hydrogen bonding through the fluorine side of noble gas molecule with hydrogen of HF. The calculated interaction energies were found to decrease in magnitude going down the noble gas series. For all noble gases, the strongest hydrogen bond has been observed in the case R=CH3. On the contrary, using R=CN in the FNgR moiety weakens the interaction strength. © 2014 Wiley Periodicals, Inc.

Preparation and dielectric properties of celsian ceramics based on hexagonal BaAl2Si2O8

Celsian ceramics based on hexagonal BaAl2Si2O8 have been prepared through synthesis at 1450°C followed by firing at 1500°C. The unit-cell parameters of BaAl2Si2O8 and principal bond distances in its structure have been determined by the Rietveld method. Using differential thermal analysis and temperature-dependent dielectric measurements, we have determined the temperature of the α (hexagonal) to β (hexagonal) phase transition in our samples: 280–320°C.

Photo induced dissociation of amino acids free from thermal degradation effects: A case study applied to DL-Valine

We present a careful study of the thermal degradation effects in the mass spectrum of DL-Valine using a quadrupole mass spectrometer and a time of flight – mass spectrometer. This allows setting the temperature of 95±10°C as threshold for the sublimation of our solid sample. Based on the assignments for each ionic fragment detected, it is possible to separate the mass peaks in groups, explaining what are the principal bond breaks involved in the specific ionic yield, whose procedure can be extended to other amino acids.

Hydration of Simple Carboxylic Acids from Infrared Spectra of HDO and Theoretical Calculations

The hydration of carboxylic acids in dilute aqueous solutions is important for our understanding of their functioning in the biochemical context. Here we apply vibrational spectra of HDO isotopically diluted in H(2)O to study this phenomenon, using the difference spectra method for analysis and interpretation of the results. The spectra of HDO affected by formic, acetic, and propionic acid display characteristic component bands, significantly red-shifted from the bulk HDO band position. The appearance of these component bands is linked with isotopic substitution on the carboxylic acid molecule, which forms a short and strong hydrogen bond with a water molecule. Additionally, a charge separation due to the proton transfer in the neutral form of the complex leading to a contact ion pair formation may be inferred from the affected HDO spectra. Apart from the contraction of the principal acid-water hydrogen bond, it results in other major structural changes in the hydration shell, as revealed by density functional theory (DFT) calculations of optimal geometries of aqueous clusters of the studied acids.

Cadherin exits the junction by switching its adhesive bond

The plasticity of cell-cell adhesive structures is crucial to all normal and pathological morphogenetic processes. The molecular principles of this plasticity remain unknown. Here we study the roles of two dimerization interfaces, the so-called strand-swap and X dimer interfaces of E-cadherin, in the dynamic remodeling of adherens junctions using photoactivation, calcium switch, and coimmunoprecipitation assays. We show that the targeted inactivation of the X dimer interface blocks the turnover of catenin-uncoupled cadherin mutants in the junctions of A-431 cells. In contrast, the junctions formed by strand-swap dimer interface mutants exhibit high instability. Collectively, our data demonstrate that the strand-swap interaction is a principal cadherin adhesive bond that keeps cells in firm contact. However, to leave the adherens junction, cadherin reconfigures its adhesive bond from the strand swap to the X dimer type. Such a structural transition, controlled by intercellular traction forces or by lateral cadherin alignment, may be the key event regulating adherens junction dynamics.

Structure and physical properties of tetragonal PbMg1/3Nb2/3O3-PbTiO3 solid solutions

The principal bond distances in the structure of tetragonal PbMg1/3Nb2/3O3-PbTiO3 (PMN-PT) solid solutions have been determined by the Rietveld method. The ferroelectric state of (PbMg1/3Nb2/3O3)0.62(PbTiO3)0.38 samples is shown to be governed by the displacement of the Pb ions from their ideal crystallographic site. In the frequency range 4000–5000 cm−1, the refractive index of the samples is 2.70–2.75, as determined by the Kramers-Kronig method.

Surface characterization by X-ray photoelectron spectroscopy and cyclic voltammetry of products formed during the potentiostatic reduction of chalcopyrite

Surface characterization of the transient products that precede chalcocite formation during chalcopyrite reduction was carried out. The experimental strategy employed in the present work consisted of the application of different potential pulses (fixed energetic conditions) on the surface of chalcopyrite electrodes in 1.7 M H 2SO 4. The chemical products formed at different potential pulses were characterized by cyclic voltammetry (CV) and XPS. Each electrogenerated species presented a specific voltammetric behavior and an XPS spectrum, in which the values of principal photoelectronic peak bond energies for Cu 2p 3/2, Fe 2p 3/2 and S 2p 3/2 and the atomic concentrations were considered. Several potential intervals could be identified: in 0.115 ≥ E cat ≥ −0.085 V vs. SHE, an intermediate copper sulfide is formed whose composition is between those of chalcopyrite and bornite, such as talnakhite. The reduction of this product occurs slowly, giving bornite at potentials less than −0.085 V. In the applied potential region −0.085 ≥ E cat > −0.185 V, the bornite gradually decomposes causing the incomplete conversion to chalcocite. In the potential interval −0.185 > E cat ≥ −0.285 V, energetic conditions are large enough to allow the immediate decomposition of bornite, forming chalcocite in a more quantitative manner.

Dicaesium tetrachloridodioxidoplutonate(VI)

The anion of the title complex, Cs2[PuCl4O2], adopts a pseudo-octa­hedral geometry (2/m crystallographic site symmetry) with two plutonyl oxide ligands in axial sites and four chloride ligands occupying the equatorial plane. Charge balance is maintained by two caesium cations per tetra­chlorido­dioxido­plutonate(VI) anion. Principal bond lengths include Pu—O = 1.752 (3) Å and Pu—Cl = 2.6648 (8) Å.

Principal band gaps and bond lengths of the alloy (Al xGa 1− x) 1− zIn zP yAs 1− y lattice matched to GaAs

The principal band gaps ( E( Γ) ,E( L), and E( X)) and bond lengths ( d( x, y, z))of the alloy (Al x Ga 1− x ) 1− z In z P y As 1− y (where, 0 < x + z < 1, and 0 < y < 1) are calculated over the entire composition range based on the first order correlated function expansion (CFE) scheme. Defining the lattice strain parameter as ϵ = | d ⁡ ( x , y , z ) − d ⁡ ( 0 , 0 , 0 ) | d ⁡ ( 0 , 0 , 0 ) × 100 % , it is found that a good quality of alloy (defining ϵ < ∼ 0.5%) can be obtained in the composition region : 0 < x < ∼ 0.3, 0 < y < ∼ 0.2 and 0 < z < ∼ 0.1. The first order CFE lattice matching relations and corresponding band gaps for the alloy on the GaAs substrate are also determined. It is found that the principal band gaps of the alloy (Al x Ga 1− x ) 1− z In z P y As 1− y lattice matched to GaAs covers band gap ranges: 1.45 eV E < ( Γ) 2.69 eV, 1.80 eV < E( L) < 2.38 eV, and 1.97 eV < E( X) < 2.20 eV, while the direct band gap covers from 1.45 eV to 2.05 eV. Our theoretical prediction was compared with the existing experimental data.

Refinement of the crystal structure of rhombohedral KU2(PO4)3 as a representative of orthophosphates with the NaZr2(PO4)3 structure

The crystal structure of the high-temperature β modification of synthetic orthophosphate KU2(PO4)3 was refined from powder X-ray diffraction data by the Rietveld method: sp. gr. \(R\bar 3c\), the unit-cell parameters a= 9.113(1) A and c= 24.997(1) A. The isotropic refinement converged to R wp = 6.15, R B = 2.14, R F = 3.52, and S = 0.42. It was confirmed that β-KU2(PO4)3 belongs to the structure type of sodium zirconium phosphate containing an actinide atom in a sixfold (octahedral) coordination formed by oxygen atoms, which is unusual for orthophosphates. The principal interatomic distances and bond angles in the structure are reported.

Invariant Aspartic Acid in Muscle Nicotinic Receptor Contributes Selectively to the Kinetics of Agonist Binding

We examined functional contributions of interdomain contacts within the nicotinic receptor ligand binding site using single channel kinetic analyses, site-directed mutagenesis, and a homology model of the major extracellular region. At the principal face of the binding site, the invariant αD89 forms a highly conserved interdomain contact near αT148, αW149, and αT150. Patch-clamp recordings show that the mutation αD89N markedly slows acetylcholine (ACh) binding to receptors in the resting closed state, but does not affect rates of channel opening and closing. Neither αT148L, αT150A, nor mutations at both positions substantially affects the kinetics of receptor activation, showing that hydroxyl side chains at these positions are not hydrogen bond donors for the strong acceptor αD89. However substituting a negative charge at αT148, but not at αT150, counteracts the effect of αD89N, demonstrating that a negative charge in the region of interdomain contact confers rapid association of ACh. Interpreted within the structural framework of ACh binding protein and a homology model of the receptor ligand binding site, these results implicate main chain amide groups in the domain harboring αW149 as principal hydrogen bond donors for αD89. The specific effect of αD89N on ACh association suggests that interdomain hydrogen bonding positions αW149 for optimal interaction with ACh.

Molecular structure of 1,3-dichloropropanone by gas-phase electron diffraction combined with ab initio calculations

The molecular structure of 1,3-dichloropropanone (ClCH 2) 2CO, was determined by gas-phase electron diffraction (GED), augmented by ab initio MO calculations. The nozzle temperature in the GED experiment was about 365 K. Vibrational amplitudes and shrinkage corrections for the data analysis of GED were calculated from the harmonic force constants given by normal coordinate analysis. The C–C torsions were treated as large-amplitude vibrations in the data analyses. The potential function for the C–C torsional motion was approximated as V(φ 1,φ 2)=(V 1/2)(1− cos(φ 1))+(V 1/2)(1− cos(φ 2))+(V 3/2)(1− cos(3φ 1))+(V 3/2)(1− cos(3φ 2))+V 11 sin(φ 1) sin(φ 2)+V′ 11 cos(φ 1) cos(φ 2), where φ 1 and φ 2 are the dihedral angles of ClCCO for the two ClCH 2 groups. The values of V 1, V 3, V 11 and V′ 11 were determined to be −3.6, 4.8, −5.5, and 2.8 kJ mol −1, respectively. It was found that the anticlinal– anticlinal ( ac– ac) conformer was dominant, with a small population of the anticlinal– synperiplanar ( ac– sp) conformer present. The ac– ac conformer possesses C 2 symmetry, where φ 1 and φ 2 are both 116° and the ac– sp conformer has C 1 symmetry with the ClCCO dihedral angles of 128 and 12°. The principal bond distances and angles ( r g (Å) and ∠ α (°)) of the ac– ac conformer are: r(C–C)=1.526(3); r(CO)=1.210(2); r(C–Cl)=1.789(1); ∠CCO=121.0(4); ∠CCCl=110.2(4). The values in parentheses are three times the standard deviations. The ac– ac conformer is much more abundant than the other conformers in the gas phase, although the synperiplanar– synperiplanar conformer, where the two ClCCO angles are nearly equal to zero, is dominant in the crystal.

Actinide interactions with microbial chelators: the dioxobis[pyridine-2,6-bis(monothiocarboxylato)]uranium(VI) ion.

The title complex, bis(tetraphenylphosphonium) dioxobis(pyridine-2,6-dicarbothioato-O,N,O')uranium(VI), (C(24)H(20)P)(2)[UO(2)(C(7)H(3)NO(2)S(2))(2)], was prepared by reacting two equivalents of pyridine-2,6-bis(monothiocarboxylate) (pdtc) with uranyl nitrate. The geometry of the eight-coordinate U atom is hexagonal bipyramidal, with the uranyl O atoms in apical positions. This is the first reported complex in which this ligand binds a metal through the O and not the S atoms. Principal bond lengths include uranyl lengths of 1.774 (2) A, U--O distances of 2.434 (2) and 2.447 (3) A, and two U--N distances of 2.647 (3) A. The anion lies on an inversion centre.

An investigation of the chromium oxidation state of a monoanionic chromium tris(catecholate) complex by X-ray absorption and EPR spectroscopies.

The well-known monoanionic Cr tris(3,5-di-tert-butylcatecholato) complex, [Cr(DTBC)3]-, has been studied by X-ray absorption spectroscopy. The multiple-scattering fit to the XAFS gave good correlation (R = 19.8%) and good values for all of the bond lengths, angles, and Debye-Waller factors. The principal bond lengths and angles around the metal center (Cr-O, 1.96 A; O-C, 1.28 A; O-Cr-O, 81.8 degrees; Cr-O-C, 113.3 degrees) were most consistent with the XRD structure for [Cr(X4C6O2)3]- (X = Cl, Br), compared to those in other oxidation states, [Cr(DTBC)3], [Cr(Cl4C6O2)3], and [Cr(O2C6H4)3]3-. The XANES spectrum shows the main K edge at 6003.3 eV and a preedge peak at 5992.9 eV, which is approximately 8% of the intensity of the main K edge. The XANES data were compared to those for Cr-ehba complexes (ehbaH2 = 2-ethyl-2-hydroxybutanoic acid) of known oxidation states (III, IV, and V) and show, in conjunction with EPR spectroscopy and a reevaluation of XRD structures and theoretical calulations, that the complex is best described as a Cr(V) center with delocalization from the catechol ligands. The [Cr(catecholato)3]n+ (n = 1, 0) complexes have similar EPR spectroscopic and structural properties, respectively, to the 1- complex and are also best described as Cr(V) complexes. Such intermediates are important in the redox reactions of catechol(amine)s, and oxidized amino acids (e.g., DOPA), with carcinogenic Cr(VI) and may have relevance in Cr-induced cancers.

Tris

In the title complex, [Sm(C(9)H(9)F(5)NSi)(3)(C(4)H(8)O)], the Sm metal center is coordinated in a highly distorted tetrahedral geometry by the three N atoms of the amido ligands and by the O atom of the tetrahydrofuran ligand. Principal bond lengths include: Sm-N 2.299 (4), 2.339 (4) and 2.366 (4) A, and Sm-O 2.446 (3) A, close Sm. F contacts of 2.536 (3) and 2.556 (3) A, and an 'agostic' Sm.C interaction of 3.154 (4) A.

Tetrachlorotetrakis(propan-2-ol)uranium(IV) and tetrachlorotetrakis(propan-2-ol)thorium(IV)

The title complexes, [UCl 4 (C 3 H 8 O) 4 ] and [ThCl 4 (C 3 H 8 O) 4 ], are isomorphous and crystallize in the tetragonal space group I4 1 /a. The molecules have approximate dodecahedral symmetry and occupy sites of 4 symmetry. Principal bond lengths include U-Cl = 2.6478(10), U-O = 2.478 (3), Th-Cl = 2.7066 (8) and Th-O = 2.515 (2) A.

Molecular structure of dichloroacetaldehyde oxime by gas-phase electron diffraction combined with microwave spectroscopy

The gas-phase structure of dichloroacetaldehyde oxime (Cl2CH–CHNOH, DCAO), was determined by gas-phase electron diffraction (GED) combined with microwave (MW) spectroscopic data. The nozzle temperature in the GED experiment was about 53°C. Structural constraints in the GED data analysis were obtained by the ab initio MO calculation of DCAO at the MP2/6-31G(d, p) level of theory. Vibrational amplitudes, shrinkage corrections for the data analysis of GED and vibrational corrections of the experimental rotational constants were calculated from the harmonic force constants given by normal coordinate analysis. The (E)-isomer with the dihedral angle of φ(ClCCN)=119.7(2)° was the dominant conformer. The MW spectroscopic investigation and the optimized structure in the ab initio calculations were consistent with the present result. The population of the dominant conformer was 80(1)%. The results of the data analysis indicated that there were two other conformers involved, whose conformations and populations were: (E)-isomer with one chlorine atom on the plane of the molecular skeleton (10(1)%) and (Z)-isomer with φ of about 105° (10(1)%). The principal bond distances and angles (rg/Å and ∠α/deg) of the dominant conformer, (E)-isomer, were: r(C–C)=1.497(8); r(CN)=1.281(4); r(C–Cl)=1.784(2); r(N–O)=1.415(4); ∠CCN=117.0(8); ∠CCCl=109.4(3); ∠CNO=111.1(5); and ∠NOH=97.2(50). The values in parentheses were three times the standard deviations.