Integrative review of , and (Lepidoptera, Noctuidae, Xyleninae, Apameini).

The relationship of Mikkola, 1980; Mikkola, 1998; and Mikkola, 1998 is reconsidered based on 59 genitalia slides (37 males and 22 females) and 40 barcodes of adults collected from the type localities and areas in-between. Due to lack of stable morphologic differences, apart from the wing coloration of , and low genetic distance between the three, they are considered as three subspecies of : the nominotypical one and Included are photographs of all specimens covering 37 adults, and 28 male and 18 female genitalia, as well as a phylogenetic tree and a map showing collecting localities.

Halogen Bonding to the π-Systems of Polycyclic Aromatics.

The propensity of the π-electron system lying above a polycyclic aromatic system to engage in a halogen bond is examined by DFT calculations. Prototype Lewis acid CFI is placed above the planes of benzene, naphthalene, anthracene, phenanthrene, naphthacene, chrysene, triphenyl, pyrene, and coronene. The I atom positions itself some 3.

Light-induced photodissociation in the lowest three electronic states of the NaH molecule.

It has been known that electronic conical intersections in a molecular system can also be created by laser light even in diatomics. The direct consequence of these light-induced degeneracies is the appearance of a strong mixing between the electronic and vibrational motions, which has a strong fingerprint on the ultrafast nuclear dynamics. In the present work, pump and probe numerical simulations are performed with the NaH molecule involving the first three singlet electronic states (XΣ(X), AΣ(A) and BΠ(B)) and several light-induced degeneracies in the numerical description.

Types of noncovalent bonds within complexes of thiazole with CF and SiF.

The five-membered heteroaromatic thiazole molecule contains a number of electron-rich regions that could attract an electrophile, namely the N and S lone pairs that lie in the molecular plane, and π-system areas above the plane. The possibility of each of these sites engaging in a tetrel bond (TB) with CF and SiF, as well as geometries that encompass a CH⋯F H-bond, was explored DFT calculations. There are a number of minima that occur in the pairing of thiazole with CF that are very close in energy, but these complexes are weakly bound by less than 2 kcal mol and the presence of a true TB is questionable.

Description of two new species of Dinometa from East Africa with remarks on D. maputuana (Lepidoptera, Lasiocampidae, Lasiocampinae).

The genus Dinometa Aurivillius, 1927 (type species Gastroplakaeis maputuana Wichgraf, 1906) is reviewed, with two new species described: Dinometa ethani sp. n. from Tanzania and Dinometa abigailae sp.

Phragmacossia bozanoia new species from southern Greece with some notes on Phragmataecia and Phragmacossia (Lepidoptera, Cossidae, Zeuzerinae).

The taxonomic relationship between the genera Phragmataecia Newman, 1850 and Phragmacossia Schawerda, 1924 is considered. Diagnostic characters and distribution of the species Phragmataecia castaneae (Hbner, 1790), Phragmataecia albida (Erschoff, 1874), Phragmacossia ariana (Grum-Grshimailo, 1899), Phragmacossia territa (Staudinger, 1879), and Phragmacossia minos Reisser, 1963 are studied in detail. A new species, Phragmacossia bozanoi sp.

A new genus of Afrotropical Lasiocampini: Revaya gen. n. (Lepidoptera, Lasiocampidae, Lasiocampinae).

A new genus Revaya gen. n. with Revaya yahya sp.

Cleaner Biofuel Production via Process Parametric Optimization of Nonedible Feedstock in a Membrane Reactor Using a Titania-Based Heterogeneous Nanocatalyst: An Aid to Sustainable Energy Development.

Membrane technology has been embraced as a feasible and suitable substitute for conventional time- and energy-intensive biodiesel synthesis processes. It is ecofriendly, easier to run and regulate, and requires less energy than conventional approaches, with excellent stability. Therefore, the present study involved the synthesis and application of a highly reactive and recyclable Titania-based heterogeneous nanocatalyst (TiO) for biodiesel production from nonedible seed oil via a membrane reactor, since is easily and widely accessible and has a rich oil content (39% /).

Micrometer insights into Nepeta genus: Pollen micromorphology unveiled.

This study provides a comprehensive pollen micromorphology within the Nepeta genus, revealing intricate details about the pollen grains' structure and characteristics. The findings shed light on the evolutionary and taxonomical aspects of this plant genus, offering valuable insights for botanists and researchers studying Nepeta species. The pollen grains of 18 Nepeta species were studied using scanning electron microscopy (SEM) and light microscopy (LM) in Northern Pakistan.

Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers.

The relationship between the strength of a halogen bond (XB) and various IR and NMR spectroscopic quantities is assessed through DFT calculations. Three different Lewis acids place a Br or I atom on a phenyl ring; each is paired with a collection of N and O bases of varying electron donor power. The weakest of the XBs display a C-X bond contraction coupled with a blue shift in the associated frequency, whereas the reverse trends occur for the stronger bonds.

Heavy pnicogen atoms as electron donors in sigma-hole bonds.

DFT calculations evaluate the strength of σ-hole bonds formed by ZH and ZMe (Z = N, P, As, Sb) acting as electron donor. Bond types considered include H-bond, halogen, chalcogen, pnicogen, and tetrel bond to perfluorinated Lewis acids FH, FBr, FSe FAs, FGe, respectively, as well as their monofluorinated analogues. All of the Z atoms can engage in bonds of at least moderate strength, varying from 3 to more than 40 kcal mol.

Competition between Binding to Various Sites of Substituted Imidazoliums.

The imidazolium cation has a number of different sites that can interact with a nucleophile. Adding a halogen atom (X) or a chalcogen (YH) group introduces the possibility of an NX···nuc halogen or NY···nuc chalcogen bond, which competes against the various H-bonds (NH and CH donors) as well as the lone pair···π interaction wherein the nucleophile lies above the plane of the cation. Substituted imidazoliums are paired with the NH base, and the various different complexes are evaluated by density functional theory (DFT) calculations.

Comparison of the Ability of N-Bases to Engage in Noncovalent Bonds.

The lone pair of the N atom is a common electron donor in noncovalent bonds. Quantum calculations examine how various aspects of the base on which the N is located affect the strength and other properties of complexes formed with Lewis acids FH, FBr, F Se, and F As that respectively encompass hydrogen, halogen, chalcogen, and pnicogen bonds. In most cases the halogen bond is the strongest, followed in order by chalcogen, hydrogen, and pnicogen.

Novel pyrazolo[3,4-d]pyrimidines as potential anticancer agents: Synthesis, VEGFR-2 inhibition, and mechanisms of action.

Novel pyrazolo[3,4-d] pyrimidine derivatives bearing carbon-aryl(heteryl)idene moieties were synthesized via a condensation reaction of 5-aminopyrazoles and cyclic lactams. The preparation of the target compounds employed bioisosterism, where a pyrazole ring was a major replacement. Fifteen target compounds were investigated for their antiproliferative activity on five human cancer cell lines; derivative (E)- 1-methyl-9-(3,4,5-trimethoxybenzylidene)- 6,7,8,9-tetrahydropyrazolo[3,4-d]pyrido[1,2-a]pyrimidin-4(1H)-one (10k) showed the highest activity (IC value (0.

Design, combinatorial synthesis and cytotoxic activity of 2-substituted furo[2,3-d]pyrimidinone and pyrrolo[2,3-d]pyrimidinone library.

A facile protocol was developed for the combinatorial synthesis of furo[2,3-d]pyrimidinone and pyrrolo[2,3-d]pyrimidinone library via a one-pot condensation, from 2-amino furans/pyrroles. Herein reported process required a similar reaction condition, providing mild access to two diverse series of natural product-like heterocycles. Both furo[2,3-d]pyrimidinones and pyrrolo[2,3-d]pyrimidinones were evaluated in vitro against a panel of human cancer cell lines including against human cancer HeLa (cervical), MCF-7 (breast) and HT-29 (colon) cell lines.

Sugar Containing Compounds and Biological Activities of .

Phytochemical investigation of the methanolic extract obtained from the aerial parts of (Lamiaceae) afforded the new compound 1-methoxy-3---glucopyranosyl-α-l-oliose () together with five known glycosides, namely sitosterol-3---glucoside (), stigmasterol-3---glucoside (), pinitol (), 6-hydroxyl-7--loganin (), and chlorotuberoside (). The structures of these compounds were elucidated by extensive spectroscopic analyses, especially HR-MS, 1D and 2D NMR spectroscopy. The in vitro cytotoxic activity of the methanolic extract and the isolated compounds was assessed using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) and crystal violet (CV) staining assays.

Formation of Water-Free Cavity in the Process of Nafion Swelling in a Cell of Limited Volume; Effect of Polymer Fibers Unwinding.

When Nafion swells in water, colloidal particles are repelled from the polymer surface; this effect is called the formation exclusion zone (EZ), and the EZ size amounts to several hundred microns. However, still no one has investigated the EZ formation in a cell whose dimension is close to the EZ size. It was also shown that, upon swelling in water, Nafion fibers "unwind" into the water bulk.

Crystal structure of -bis-[2-(1-benzotriazol-1-yl)acetato-κ]bis-(ethano-lamine-κ ,)copper(II).

The reaction of 2-(1-benzotriazol-1-yl)acetic acid (HBTA; CHNO) and mono-ethano-lamine (MEA; CHNO) with CuCl·2HO resulted in the formation of the title complex, [Cu(CHNO)(CHNO)] or [Cu(BTA)(MEA)]. Its asymmetric unit comprises one BTA anion coordin-ating to the Cu cation (site symmetry ) through the carboxyl O atom, and one MEA ligand chelating the metal cation by two heteroatoms (O and N). The equatorial Cu-O and Cu-N bond lengths are similar at 2.