The photophysical properties of singlet and triplet metal-to-ligand charge transfer (MLCT) states of [Cu(I)(diimine)(2)](+), where diimine is 2,9-dimethyl-1,10-phenanthroline (dmphen), 2,9-dibutyl-1,10-phenanthroline (dbphen), or 6,6'-dimethyl-2,2'-bipyridine (dmbpy), were studied. On 400 nm laser excitation of [Cu(dmphen)(2)](+) in CH(2)Cl(2) solution, prompt (1)MLCT fluorescence with a quantum yield of (2.8 +/- 0.8) x 10(-5) was observed using a picosecond time-correlated single photon counting technique. The quantum yield was dependent on the excitation wavelength, suggesting that relaxation of the Franck-Condon state to the lowest (1)MLCT competes with rapid intersystem crossing (ISC). The fluorescence lifetime of the copper(I) compound was 13-16 ps, unexpectedly long despite a large spin-orbit coupling constant of 3d electrons in copper (829 cm(-1) ). Quantum chemical calculations using a density functional theory revealed that the structure of the lowest (1)MLCT in [Cu(dmphen)(2)](+) (1(1)B(1)) was flattened due to the Jahn-Teller effect in 3d(9) electronic configuration, and the dihedral angle between the two phenanthroline planes (dha) was about 75 degrees with the dha around 90 degrees in the ground state. Intramolecular reorganization energy for the radiative transition of 1(1)B(1) was calculated as 2.1 x 10(3) cm(-1), which is responsible for the large Stokes shift of the fluorescence observed (5.4 x 10(3) cm(-1)). To understand the sluggishness of the intersystem crossing (ISC) of (1)MLCT of the copper(I) compounds, the strength of the spin-orbit interaction between the lowest (1)MLCT (1(1)B(1)) and all (3)MLCT states was calculated. The ISC channels induced by strong spin-orbit interactions (ca. 300 cm(-1)) between the metal-centered HOMO and HOMO - 1 were shown to be energetically unfavorable in the copper(I) compounds because the flattening distortion caused large splitting (6.9 x 10(3) cm(-1)) between these orbitals. The possible ISC is therefore induced by weak spin-orbit interactions (ca. 30 cm(-1)) between ligand-centered molecular orbitals. Further quantum mechanical study on the spin-orbit interaction between the lowest (3)MLCT (1(3)A) and all (1)MLCT states indicated that the phosphorescence borrows intensity from 2(1)B(1). The radiative rate of the phosphorescence was also structure-sensitive. The flattening distortion reduced the transition dipole moment of 2(1)B(1) --> the ground state, and decreased the extent of mixing between 1(3)A and 2(1)B(1), thereby considerably reducing the phosphorescence radiative rate at the MLCT geometry compared to that at the ground state geometry. The theoretical calculation satisfactorily reproduced the radiative rate of ca. 10(3) s(-1) and accounted for the structure-sensitive phosphorescence intensities of copper(I) bis(diimine) compounds recently demonstrated by Felder et al. (Felder, D.; Nierengarten, J. F.; Barigelletti, F.; Ventura, B.; Armaroli, N. J. Am. Chem. Soc. 2001, 123, 6291).

The concentration of essential metals such as Fe, Cu, Mg, Co and Zn and toxic metals such as Pb, Cd, Cr, As and Ni were determined in a number of animal meats, organ meats, meat products, and eggs by using UV-visible and atomic absorption spectrophotometry ( The concentration of arsenic in all samples was found negligible and this indicates that the investigated samples are safe from arsenic toxicity. The concentrations of other four toxic metals being very negligible in most of the samples indicate that these foodstuffs are reasonably safe from metal toxicity. However a few samples which exhibited higher concentrations of these metals above their tolerance limits are alarming for the public health and demand regular examination of these items before coming to the markets. The information obtained from the present investigation is expected to be useful to the general people of this region in selecting meats as their diets.

A number of oxotitanium(IV) complexes of the type TiOL with bisunsymmetric dibasic tetradentate Schiff base (LH 2 ) containing ONNO donor atoms have been synthesized. Mono-Schiff base (OPD-HNP) was prepared by the condensation of 1:3 molar ratio of 2-hydroxy-1-naphthaldehyde (HNP)with o-phenylenediamine (OPD). Dibasic unsymmetric tetradentate diamine Schiff bases were prepared by the reaction of OPD-HNP with 2-hydroxyacetophenone, 2-hydroxypropeophenone, benzoylacetone, acetylacetone and ethylacetoacetate. Further, titanylacetylacetonate was reacted with these ligands to obtain their metal complexes. On the basis of analytical and physiochemical data, the formation of complexes as TiOL was suggested having square pyramidal geometry. Quantum mechanical approach also confirmed this geometry. The assessment of the synthesized ligands and their complexes showed that some behave as good inhibitors of mycelial growth against selected phytopathogic fungi but weak inhibitors against some selected bacteria. A few of them also showed antioxidant properties.

Paracetamol or acetaminophen is a medication commonly used in pain and fever. It is typically used for mild to moderate pain relief. It can produce selective inhibition to the prostaglandin synthesis. We envisage the density functional theory (DFT) with B3LYP/6-31G+(d,p) basis set to optimize the newly modified derivatives. Thermodynamic properties, molecular orbital features, dipole moment, atomic partial charge and electrostatic potential have been calculated in order to compare their physicochemical and biological properties. Molecular docking, nonbonding interactions, and dynamics simulation have been performed against prostaglandin H2 (PGH2) synthase protein 5F19 to investigate their binding affinity, binding modes, and stability of the protein-drug complex. ADMET prediction has been utilized to compare the absorption, metabolism, and carcinogenic properties of new derivatives with parent drug (PCT). From physicochemical data, all modified structures are thermodynamically stable; most of them are chemically more reactive and show better binding affinity than the parent drug. ADMET calculations predict the improved pharmacokinetic properties of modified derivatives. Based on physicochemical, docking, dynamics simulation and ADMET prediction results, this study can be helpful to design a new analgesic and antipyretic drug.

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Paracetamol (PCT) is a mostly used analgesic and antipyretic drug [1]. Overdoses can cause of liver and kidney damage [2]. The primary metabolism of PCT occurred in the liver and some of the metabolites show toxic interaction with the amino acid residue of receptor protein [3]. Paracetamol sulphate (PCT-S) is a primary metabolite, which is formed by sulphate conjugation of PCT and mainly found in children. Similarly, paracetamol glucuronide (PCT-G) is another primary metabolite, which is also formed by glucuronide conjugation of PCT and mainly found in adult. N-acetylp-benzoquinone imine (NAPQI) is one of the toxic metabolites, produced by cytochrome P450 (CYP450) mediated N-hydroxylation of . Till now, the metabolite formation and their action are not completely known. Previously, some of the metabolites were detected and reported by many researchers [3,8]. Attempt has taken to optimize the reported metabolites to make more understandable about the metabolite's formation, their inherent stability, chemical reactivity, binding affinity, and toxic parameters. The enthalpy, free energy, dipole moment, molecular orbital, chemical hardness, softness, electrostatic potentiality has been reported to compare the inherent stability, chemical reactivity. In addition, molecular docking has been performed against prostaglandin synthase protein (5F19) to compare their binding affinity, and mode(s).ADMET prediction has been performed to compare the absorption, metabolism, and safety level for oral administration of all optimized structures (Figure 1). Figure 1: Some major metabolites of paracetamol.

Endometrial receptivity disorder is the leading cause for failed embryonic implantation. Recently, the methods to ameliorate endometrial receptivity, to improve the success rate and increase the clinical pregnancy rate of in vitro fertilization-embryo transfer (IVF-ET) technology has become a research hotspot. In this article, we describe the treatment methods and elaborate the latest progress made in improving endometrial receptivity in the recent years.

Background: Infertility is defined as not conceiving after one year of unprotected sex. Apart from age, physical and hormonal misbalance, and lifestyle or environmental factors for infertility; Endometrial thickness has an important role in conception. Females with the 8-12mm endometrial thickness in the late proliferative phase had great chances to get conceive. Aim: To determine the sonographic diagnostic features of the endometriumthickness with Transvaginal high-resolution ultrasound are predictive of infertility. Methods: An electronic database search was performed (Google Scholar, Science Direct, and PubMed) with the data range from 1988 to 2020.All studies, fully-available in English, assessing the endometrial thickness in the gray-scale image on TAS/TVs. Results: Thirty-three articles were found, we evaluated the performance of ultrasound diagnostic techniques, for the measurement of endometrial thickness, our results showed that ultrasound had a high level of diagnostic capability for measuring endometrial thickness. If endometrial thickness is more than 14mm or less than 7mm then chances of pregnancy were zero, so high chances of pregnancy when the endometrial thickness is 8mm to 11mm. Conclusion: We concluded that when the endometrial thickness was increased from 8 mm to 11 mm the chances of pregnancy were maximum, and when the thickness of endometrium was more than 14 mm or, less than 7 mm the pregnancy ratio was almost zero. Transvaginal ultrasound is an excellent imaging modality and its sensitivity is high for the measurement of endometrial thickness Keyword: Transvaginal sonography, endometrial thickness, Infertility