Superconformal duality-invariant models and $$ \mathcal{N} $$ = 4 SYM effective action

We present $$ \mathcal{N} $$ N = 2 superconformal U(1) duality-invariant models for an Abelian vector multiplet coupled to conformal supergravity. In a Minkowski background, such a nonlinear theory is expected to describe (the planar part of) the low-energy effective action for the $$ \mathcal{N} $$ N = 4 SU(N) super-Yang-Mills (SYM) theory on its Coulomb branch where (i) the gauge group SU(N) is spontaneously broken to SU(N − 1) × U(1); and (ii) the dynamics is captured by a single $$ \mathcal{N} $$ N = 2 vector multiplet associated with the U(1) factor of the unbroken group. Additionally, a local U(1) duality-invariant action generating the $$ \mathcal{N} $$ N = 2 super-Weyl anomaly is proposed. By providing a new derivation of the recently constructed U(1) duality-invariant $$ \mathcal{N} $$ N = 1 superconformal electrodynamics, we introduce its SL(2, ℝ) duality-invariant coupling to the dilaton-axion multiplet.

Non-planar form factors of generic local operators via on-shell unitarity and color-kinematics duality

Form factors, as quantities involving both local operators and asymptotic particle states, contain information of both the spectrum of operators and the on-shell amplitudes. So far the studies of form factors have been mostly focused on the large Nc planar limit, with a few exceptions of Sudakov form factors. In this paper, we discuss the systematical construction of full color dependent form factors with generic local operators. We study the color decomposition for form factors and discuss the general strategy of using on-shell unitarity cut method. As concrete applications, we compute the full two-loop non-planar minimal form factors for both half-BPS operators and non-BPS operators in the SU(2) sector in $$ \mathcal{N} $$ N = 4 SYM. Another important aspect is to investigate the color-kinematics (CK) duality for form factors of high-length operators. Explicit CK dual representation is found for the two-loop half-BPS minimal form factors with arbitrary number of external legs. The full-color two-loop form factor result provides an independent check of the infrared dipole formula for two-loop n-point amplitudes. By extracting the UV divergences, we also reproduce the known non-planar SU(2) dilatation operator at two loops. As for the finite remainder function, interestingly, the non-planar part is found to contain a new maximally transcendental part beyond the known planar result.

4-Acetamidophenol Binding Mechanism with DNA by UV-Vis and FTIR Techniques Based on Binding Energy, LUMO and HOMO Orbitals and Geometry of Molecule

Present study was conducted to appraise the interaction mechanism of 4-acetamidophenol (4-AP) with DNA based on UV-Vis and FTIR techniques based on binding energy, isolated atomic energy, LUMO and HOMO orbitals gap and geometry of molecule. Analysis revealed the groove binding and intercalation mode of interaction between 4-AP and DNA since hyperchromic and bathochromic shifts were observed in response of interaction of DNA. The planar part of interacting molecule intercalated with DNA and non-planar part of 4-acetamidophenol bounded with DNA (groove binding). The constants for binding between 4-AP and DNA were calculated and 20.12 × 103 mol−1 dm3 binding constant was recorded at pH 4.7, whereas this value was 5.32 × 103 mol−1 dm3 for the pH 7.4. The binding constant value for interaction of 4-AP with DNA revealed the possibility of oral administration of 4-AP. The 4-AP binding with DNA is spontaneous process, which was confirmed from negative value of free energy at room temperature. FTIR study revealed that C–H and C=C (aromatic) functional groups were involved in binding at pH 4.7 and C=O (amide) was involved in groove binding, whereas C–H (aromatic) was responsible for intercalation at pH 7.4 and C–H (alkaline) and C=O (amide) were responsible for groove binding at pH 4.7.

Crystal structures of 4-methyl-2-oxo-2H-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2H-chromene-7,8-diyl bis(pent-4-ynoate)

In the structures of the two title coumarin derivatives, C14H12O6, (1), and C20H16O6, (2), one with acetate and the other with pent-4-ynoate substituents, both the coumarin rings are almost planar. In (1), both acetate substituents are significantly rotated out of the coumarin plane to minimize steric repulsions. One acetate substituent is disordered over two equivalent conformations, with occupancies of 0.755 (17) and 0.245 (17). In (2), there are two pent-4-ynoate substituents, the C[triple-bond]C group of one being disordered over two positions with occupancies of 0.55 (2) and 0.45 (2). One of the pent-4-ynoate substituents is in an extended conformation, while the other is in a bent conformation. In this derivative, the planar part of both pent-4-ynoate substituents deviate from the coumarin plane. The packing of (1) is dominated by π–π stacking involving the coumarin rings and weak C—H...O contacts link the parallel stacks in the [101] direction. In contrast, in (2) the packing is dominated byR22(24) hydrogen bonds, involving the acidicspH atom and the oxo O atom, which link the molecules into centrosymmetric dimers. The bent conformation of one of the pent-4-ynoate substituents prevents the coumarin rings from engaging in π–π stacking.

Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material

In the trication of the title hydrated molecular salt, C28H40N3O3+·3Cl−·2H2O, the central heterocyclic ring adopts a sofa conformation, with the exocyclic N—C bond in an equatorial orientation. The dihedral angles between the planar part of this heterocyclic ring and the two almost flat side-chain fragments, which include the aromatic ring and bridging atoms, are 28.8 (1) and 41.1 (1)°. Both diethylazaniumyl substituents have a tetrahedral geometry, while the dihedral angles between the above-mentioned flat part of the aryl fragments and the imaginary planes drawn through atoms C—N—C of the diethylazaniumyl substituents are 86.3 (2) and 80.4 (1)°, respectively. In the crystal, N—H...Cl hydrogen bonds link the cations and anions into [100] chains. The chains are cross-linked by numerous C—H...O and C—H...Cl interactions, generating a three-dimensional network. One of the chloride ions is disordered over two adjacent positions in a 0.895 (4):0.105 (4) ratio.

Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

The title compound, C17H21NO4, consists of substituted Meldrum's acid with a [4-(diethylamino)phenyl]methylidene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to the presence of a long conjugated system in the molecule. This leads to the formation of C—H...O-type intramolecular contacts. As a result of the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C—H...O interactions, which associate the molecules into inversion dimers.

3D scanning based mold correction for planar and cylindrical parts in aluminum die casting

Aluminum die casting is an important manufacturing process for mechanical components. Die casting is known to be more accurate than other types of casting; however, post-machining is usually necessary to achieve the required accuracy. The goal of this investigation is to develop machining- free aluminum die casting. Improvement of the accuracy of planar and cylindrical parts is expected by correcting metal molds. In the proposed method, the shape of cast aluminum made with the initial metal molds is measured by 3D scanning. The 3D scan data includes information about deformations that occur during casting. Therefore, it is possible to estimate the deformation and correction amounts by comparing 3D scan data with product computer-aided design (CAD) data. We corrected planar and cylindrical parts of the CAD data for the mold. In addition, we corrected the planar part of the metal mold using the corrected mold data. The effectiveness of the proposed method is demonstrated by evaluating the accuracy improvement of the cast aluminum made with the corrected mold.

Crystal structure of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione: a clinically used anticonvulsant

In the title compound, C12H13NO2, the five-membered ring has an envelope conformation; the disubstituted C atom lies out of the mean plane through the four other ring atoms (r.m.s. deviation = 0.0038 Å) by 0.1877 (18) Å. The plane of the phenyl substituent is practically perpendicular to that of the planar part of the five-membered ring, with a dihedral angle of 87.01 (5)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H...O hydrogen bonds, as well as carbonyl–carbonyl attractive interactions [O...C = 3.2879 (19) Å], forming a three-dimensional framework structure.