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The depletion of crude oil sources and a growing understanding of the adverse environmental effects of using fossil fuels promoted the development of alternative techniques to convert waste biomass into biofuels. Considering ecological safety and economic challenges, this work investigates the catalytic transesterification of waste cooking oil (WCO) for biodiesel production as a substitute for fossil fuels. Chicken eggshells were calcined at 900 °C to form CaO nanoparticles (NPs) and impregnated with Ag NPs solution prepared from fresh fenugreek leaf extract. Several characterization methods characterized the catalyst: FTIR, TEM, SEM, XRD, and zeta-potential/particle sizer, confirming the composite's spherical shape and mesoporous structure. The optimal transesterification conditions were achieved by performing batch reaction experiments. The biodiesel product was analyzed, and its fuel features (density and acid number, kinematic viscosity, cloud, and flash points) were determined and compared to standards. Confirmatory techniques (GC-FID, FTIR, 1H NMR, and 13C NMR) were also used to confirm the conversion of WCO into biodiesel. This study revealed the transformation of WCO into biodiesel with acceptable fuel features depending on the CaO/Ag catalyst's effectiveness as an excellent, safe commercial catalyst by its three times reusability with 90% biodiesel yield, ease of recovery, and cheap cost fabrication. [Display omitted] [ABSTRACT FROM AUTHOR]

Ovarian cancer is the leading cause of female reproductive cancer death. It is estimated that dietary habits accounts for 30% of all cancers. This review sets out what we know about the food, nutrition and lifestyle factors that cause ovarian cancer, affect women with ovarian cancer and the problems associated with study design that may affect its prevention and patient survival. Studies reporting lifestyle, diet, nutritional benefits in ovarian cancer patients from 1980 to date were examined and insights into the potential problems related with study design evaluated. Poor diet and nutrition are associated with ovarian cancer and exacerbated by poor lifestyle choices. Although improvements in disease prevention and patient survival can be made through nutritional, dietary and lifestyle interventions uncertain evidence, resulting directly or indirectly from inadequate study design may negate this. Lifestyle, dietary and nutrition interventions may prevent and improve survival of ovarian cancer patients. However, inadequate clarity and gaps exists within the literature, eg., study design, data interpretation, absence of cohesive questions and scoring systems. Future directions that emphasize high quality studies and clinical trials should be encouraged. [ABSTRACT FROM AUTHOR]

(E)-N,N-Dimethyl-2-((E-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (DMPTHP) and their Zn(II) and Cd(II) complexes have been synthesized and characterized. Different tools of analysis such as elemental analyses, IR, mass spectra, and 1H-NMR measurements were used to elucidate the structure of the synthesized compounds. According to these spectral results, the DMPTHP ligand behaved as a mononegatively charged tridentate anion. Modeling and docking studies were investigated and discussed. Novel Schiff base (DMPTHP) ligand protonation constants and their formation constants with Cd(II) and Zn(II) ions were measured in 50% DMSO solution at 15°C, 25°C, and 35°C at I = 0.1 mol·dm−3 NaNO3. The solution speciation of different species was measured in accordance with pH. Calculation and discussion of the thermodynamic parameters were achieved. Both log K1 and –ΔH1, for M(II)-thiosemicarbazone complexes were found to be somewhat larger than log K2 and –ΔH2, demonstrating a shift in the dentate character of DMPTHP from tridentate in 1 : 1 chelates to bidentate in 1 : 2; M : L chelates and steric hindrance were generated by addition of the 2nd molecule. The compounds prepared have significant activity as antioxidants, similar to ascorbic acid. It is hoped that the results will be beneficial to antimicrobial agent chemistry. The formed compounds acted as a potent antibacterial agent. Molecular docking studies were investigated and have proved that DMPTHP as antibacterial agents act on highly resistant strains of E. coli and also as an anticancer agent. [ABSTRACT FROM AUTHOR]

In the future, hydrogen has the ability to meet the requirements for a clean non-fossil fuel. The Photocatalytic synthesis of H 2 by water splitting has been demonstrated, and considerable effort has been documented. The current study aims to improve the production of H 2 during water splitting by using manufactured nanoparticles based on metal oxide semiconductors in a photochemical reaction with visible light and methanol as a hole-scavenger. The synthesized nanoparticles were prepared using coprecipitation and ultrasound methods and their morphological structures were characterized using X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive analysis (Edax), diffused reflectance spectra (DRS), BET surface area, photoluminescence analysis (PL) and Gas chromatography (GC). In general, increased semiconductor activity is most likely owing to effective charge separation of photogenerated electrons and holes in the semiconductors. As a result, using different semiconductors in combination can enable improved hydrogen generation. in this study, two different semiconductors with varying concentrations were injected, either singly or in combination. They then created a large amount of H 2 54 % and 77 % for catalyst A and catalyst B respectively, which was identified and analyzed using gas chromatography. [Display omitted] • Synthesis of nano-sized mixed metal oxides NiO@Bi 2 O 3. • The preparation had followed the chemical precipitation and sono-chemical methods. • Good characteristics of the nano mixed metal oxides NiO@Bi2O3 were detected via various tools. • Innovative technique for hydrogen production. • Hydrogen production of 77 % and 15 % for catalyst B and catalyst A respectively were obtained. [ABSTRACT FROM AUTHOR]

Aflatoxin (AFs) are secondary metabolites produced primarily by aspergillus flavus and aspergillus parasiticus in agricultural foodstuff such as peanuts, maize grains, cereals, and animal feeds. Moreover, AFs are highly toxic, mutagenic, teratogenic and carcinogenic. A total of 141 samples comprising of feed ingredients (n=58) and complete feeds (n=83) used for cattle and poultry nutrition were analyzed for detection of aflatoxin in both seasons winter and summer. The incidence and level of aflatoxin B1 in feed ingredients was 26.923% (n=7/26) by mean of 78.285 ppb in summer but in winter was 28.125% (n=9/32) by mean of 47.333 ppb. For aflatoxin B2, the incidence and level in feed ingredients was 7.692% (n=2/26) and mean (54 ppb) in summer while in winter was 9.375% (n=3/32) by mean of 52.666 ppb. The incidence and level of total aflatoxins in feed ingredients was 11.538% (n=3/26) by mean of 98.333 ppb in summer but in winter was 15.625% (n=5/32) by mean of 112 ppb. Out of 7 cotton seed cake samples, one was contaminated with total aflatoxins (TAF) (14.285%) and had 300 ppb. Among 13 maize samples, only one had TAF (7.692%) and contains 14 ppb. From 4 sorghum grain samples, 2 were contaminated with AFB1 (50%) and had 12.5±5.303 ppb. Among 8 soybean processed cake, one of them (12.5%) was had AFB1 in summer and contained 10 ppb, and 2 samples in winter (25%) with range of 3-5 ppb (4±0.707). One soybean sample was contaminated with AFB2 (12.5%) and had 3 ppb. From sunflower feed samples (n=26), 11 were contaminated with AFB1, 6 in summer (23.076%) with mean of 89.666±22.188ppb (range 80-150), and 5 in winter (19.230%) with mean level 78.6±17.226ppb (range 40- 150ppb). Four samples were contaminated with AFB2, 2 in summer (7.692%) with mean level of 54±32.526ppb (range 8-10) and 2 samples in winter (7.692%) had average level of 77.5±1.767ppb (range 75-80). Six samples had TAF, 2 samples in summer (7.692%) with average level of 140.5±77.428 ppb (range 31-250) and 4 in winters (15.384%) with mean of 65±5.303 ppb. The occurrence of B1, B2 and TAF in complete feed samples was high in winter than in summer. B1 in winter samples was 42±11.798 ppb while in summer was 16.562±3.027 ppb. B2 in winter was 65±4.082 ppb while in summer was 36.833±11.996 ppb. TAF in winter samples was 140±56.319 ppb while was 22±4.242 ppb in summer. Overall incidence of detected aflatoxin in total samples as 35.82% (n=24/67) in summer, 33.783% in winter but in total samples was 34.751% (n=49/141). From these obtained results, it was clarified that about 1/3 of analyzed samples were contaminated with aflatoxins which represent great hazard for their consumers in both animals and humans. So More efforts must be done to minimize this contamination by application of suitable conditions to prevent fungal growth and thereby prevent more production of aflatoxins. [ABSTRACT FROM AUTHOR]

Novel hydrazone 2-(2-((1 E ,2 E )-2-(2-phenylhydrazineylidene)propylidene)hydrazineyl)pyridine and its nickel(II) and copper(II) complexes have been synthesized and characterized. The ligand (H 2 PGl) was prepared by the condensation reaction of 1-(2-phenylhydrazineylidene)propan-2-one and 2-hydrazinopyridine. The crystal structure of Ni(II) complex was determined. In both Ni(II) and Cu(II) complexes, H 2 PGl act as a neutral tridentate ligand forming two fused five-membered chelation rings through NNN set of donor atoms. Octahedral geometry is proposed for both chelates as illustrated in both magnetic and spectroscopic data. ESR spectroscopy was performed for Cu(II) complex which exhibited a considerable Cu–Cu interaction and harmonize directly with measured magnetic moment. The molecular modeling structures were optimized and showed the bond length, bond angle, reactivity, MEP and atomic charges for all the title frameworks. Hypothetical infrared intensities and 1 H NMR of H 2 PGl was estimated on the basis of DFT scheme. A comparison of the experimental and theoretical data was very useful in creating correct assignments and understanding the basic chemical shift. Biological activity of the synthesized compounds were investigated versus some Gram positive, Gram negative bacteria and some fungal strains. Also, the antitumor activity was investigated. [ABSTRACT FROM AUTHOR]

The interaction of diethylltin(IV) (DET) and divinyltin(IV) (DVT) with 1-(2-aminoethyl)-pyrrolidine (AEPY) was investigated using potentiometric technique at ionic strength of 0.1 mol dm −3 NaNO 3 . The hydrolysis constants of diethyltin(IV) and divinyltin(IV) cations and the stepwise formation constants of the complexes formed in solution were calculated at different temperatures and in solutions of dioxane-water solutions of different compositions. The stoichiometry and stability constants for the complexes formed were reported. The results showed the formation of 1:1 complex and the corresponding hydroxo complexes. The concentration distributions of the various complex species were evaluated as a function of pH. The thermodynamic parameters ΔH° and ΔS° calculated from the temperature dependence of the equilibrium constants were investigated for DET and DVT complexes with AEPY. The equilibrium constant for the displacement of 1-(2-aminoethyl)-pyrrolidine coordinated to diorganotin(IV) by thymine and thymidine as representative examples of DNA constituents was calculated from calculations based upon equilibrium properties. The results are expected to contribute to the chemistry of tin(IV) based anticancer agents. [ABSTRACT FROM AUTHOR]

A 2-year field experiment (2013 and 2014) was conducted in calcareous soil (CaCO319.2%), on soybean grown under three irrigation regimes 100%, 85% and 70% of crop evapotranspiration combined with three potassium (K2O) levels (90, 120 and 150 kg ha−1). The objective was to investigate the complementary properties of potassium fertilizer in improving soybean physiological response under water deficit. Plant water status (relative water content RWC, chlorophyll fluorescenceFv/F0andFv/Fm), had been significantly affected by irrigation or/and potassium application. Potassium improved growth characteristics (i.e. shoot length, number, leaf area and dry weight of leaves) as well as physiochemical attributes (total soluble sugars, free proline and contents of N, P, K, Ca and Na). Yield and yield water use efficiency (Y-WUE) were significantly affected by irrigation and potassium treatments. Results indicated that potassium application of 150 and 120 kg ha−1significantly increased seed yield by 29.6% and 13.89%, respectively, compared with 90 kg ha−1as average for two seasons. It was concluded that application of higher levels of potassium fertilizer in arid environment improves plant water status as well as growth and yield of soybean under water stress. [ABSTRACT FROM AUTHOR]

A combined experimental and computational study of novel mixed ligand Cu(II), Ni(II), Co(II), Mn(II), Zn(II), Fe(III) and Cr(III) complexes of tenoxicam drug (H 2 Ten) and valine (Val) have been reported. The complexes have been characterized using elemental analyses, molar conductance, IR, UV–Vis, magnetic moment, diffused reflectance, thermal analysis and X-ray powdered diffraction. IR and UV–Vis spectra confirm that H 2 Ten behaves as a neutral bidentate ligand co-ordinated to the metal ions via the pyridine-N and carbonyl group of the amide moiety. Quantum chemical calculations were performed with semi-empirical method to find the optimum geometry of complexes. Also, valuable information is obtained from calculations of molecular parameters for all complexes including net dipole moment of the metal complexes, values of binding energy, which proved that the complexes are more stable than the free ligand. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures. The protonation equilibria of tenoxicam (H 2 Ten) formed in DMSO-water solution were calculated using the nonlinear least-squares program MINIQUAD-75. The concentration distribution of the various species has been evaluated. The effect of DMSO as a solvent on the protonation constants of H 2 Ten was discussed. The thermodynamic parameters ΔH o and ΔS o calculated from the temperature dependence of the equilibrium constants were investigated. The humeral immune response of calves vaccinated with inactivated IBR vaccine and ternary M-H 2 Ten-Val chelates was evaluated. Molecular docking was used to predict the binding between tenoxicam and the receptors of prostate cancer mutant 2q7k-hormone, breast cancer mutant 3hb5-oxidoreductase, crystal structure E. coli (3T88) and crystal structure of S. aureus (3q8u). [ABSTRACT FROM AUTHOR]

Protonation constants of novel thiosemicarbazones including 2-(1-(2-phenyl-hydrazono)-propan-2-ylidene) hydrazine-carbothioamide (TPHP) and N -methyl-2-(1-(2-phenyl-hydrazono)-propan-2-ylidene)hydrazinecarbo-thioamide (MTPHP) ligands and their corresponding metal-ligand formation constants with Cu(II), Ni(II), Mn(II) and Co(II) ions were determined at 15 °C, 25 °C and 35 °C in 50% DMSO solution at I = 0.1 mol·dm − 3 NaNO 3 . The stability order of complexes with reference to the metal ions has been followed this order Cu(II) > Ni(II) > Co(II) > Mn(II) in concord with the Irving-Williams stability order. Also, chemical equilibrium studies indicated that substitution of hydrogen in thiosemicarbazone (TPHP) by methyl group causes lowering of acidity as a result of the electron-releasing effect of the methyl group in the substituted amino group of the thiosemicarbazide moiety. The speciation of different species in solution has been evaluated as a function of pH. Additionally, the effect of temperature on protonation of thiosemicarbazone ligands and formation of their M(II)-thiosemicarbazone complexes was investigated. The thermodynamic parameters (ΔH, ΔS and ΔG) were calculated and discussed. It was found that both log K 1 and –ΔH 1 , for M(II)-thiosemicarbazone complexes are somewhat larger than log 10 K 2 and –ΔH 2 , indicating a change in the dentate character of these ligands from tridentate (SNN-donors) in 1:1 chelates to bidentate (SN-donors) in 1:2; M:L chelates. Also, the lower values of log 10 K 2 and –ΔH 2 than log K 1 and –ΔH 1 may be attributed to steric hindrance produced by the entrance of a second molecule. [ABSTRACT FROM AUTHOR]

Binary and ternary complex formation equilibria of copper(II) with imidazole-4-acetic acid (IMA) and some aromatic amino acids such as tryptophan and phenylalanine have been studied from 15 to 45 °C by potentiometric titration. The pH-titrations of the reaction mixtures have shown 1:1:1 (Cu:IMA:amino acid) ternary complex formation. The stability of mixed-ligand complexes was quantitatively compared with the stability of the binary complexes as Δlog K, Δlog β and log X parameters. The speciation of different species in solution has been evaluated as a function of pH. The effect of temperature on protonation of the ligands and formation of mixed ligand complexes was investigated. Thermodynamic parameters were calculated and are discussed. The effect of solvent of the protonation of IMA and Cu-IMA complex formation was also investigated and discussed. Additionally, the stoichiometric protonation constants (log β) of imidazole-4-acetic acid and its binary Cu(II)-IMA complexes were determined potentiometrically over a wide range of solvent composition. [ABSTRACT FROM AUTHOR]

The interaction of DET (diethyltin(IV)) and DVT (divinyltin(IV)) with 1-(2-aminoethyl)piperazine (AEP) was investigated potentiometrically at different temperatures in 0.1 mol·dm NaNO. The hydrolysis constants of diethyltin(IV) and divinyltin(IV) cations and the stepwise formation constants of the complexes formed in solution were calculated at different temperatures and in solutions of dioxane-water solutions of different compositions. The stoichiometries and stability constants for the complexes formed are reported. The results show formation of 1:1 complexes and the corresponding hydroxide complexes. The concentration distributions of the various complex species were evaluated as a function of pH. The thermodynamic parameters Δ H° and Δ S° calculated from the temperature dependence of the equilibrium constants were investigated for DET and DVT complexes with AEP. [ABSTRACT FROM AUTHOR]

Alzheimer's disease (AD) is a cumulative progressive neurodegenerative disease characterized mainly by impairment in cognitive functions accompanied by memory loss, disturbance in behavior and personality, and difficulties in learning. Although the main causes of AD pathogenesis are not fully understood yet, amyloid-β peptides and tau proteins are supposed to be responsible for AD onset and pathogenesis. Various demographic, genetic, and environmental risk factors are involved in AD onset and pathogenesis such as age, gender, several genes, lipids, malnutrition, and poor diet. Significant changes were observed in microRNA (miRNA) levels between normal and AD cases giving hope for a diagnostic procedure for AD through a simple blood test. As yet, only two classes of AD therapeutic drugs are approved by FDA. They are classified as acetylcholinesterase inhibitors and N-methyl-D-aspartate antagonists (NMDA). Unfortunately, they can only treat the symptoms but cannot cure AD or stop its progression. New therapeutic approaches were developed for AD treatment including acitretin due to its ability to cross blood-brain barrier in the brain of rats and mice and induce the expression of ADAM 10 gene, the α-secretase of human amyloid-β protein precursor, stimulating the non-amyloidogenic pathway for amyloid-β protein precursor processing resulting in amyloid-β reduction. Also stem cells may have a crucial role in AD treatment as they can improve cognitive functions and memory in AD rats through regeneration of damaged neurons. This review spotlights on promising diagnostic techniques such as miRNAs and therapeutic approaches such as acitretin and/or stem cells keeping in consideration AD pathogenesis, stages, symptoms, and risk factors. [ABSTRACT FROM AUTHOR]

Alzheimer's disease (AD) is one of the most common causes of dementia. Several drugs are used to improve the symptoms, but do not stop AD progression. There are more promising treatments that may have a significant role in AD diagnosis and treatment such as miRNAs and stem cells. The present study aims to develop a new approach for AD treatment by mesenchymal stem cells (MSCs) and/or acitretin with special reference to inflammatory signaling pathway as NF-kB and its regulator miRNAs in AD-like rat model. Fourty-five male albino rats were allotted for the present study. The experimental periods were divided into induction, withdrawal, and therapeutic phases. Expression levels of miR-146a, miR-155, necrotic, growth and inflammatory genes were assessed using RT-qPCR. Histopathological examination of brain tissues was performed in different rat groups. The normal physiological, molecular, and histopathological levels were restored after treatment with MSCs and/or acitretin. The present study demonstrates that the miR-146a and miR-155 might be used as promising biomarkers for AD. MSCs and/or acitretin proved their therapeutic potential in restoring the expression levels of targeted miRNAs and their related genes concerning NF-kB signaling pathway. [ABSTRACT FROM AUTHOR]

The formation of mixed ligand complexes of Cu(II) with 2,2′-bipyridyl (Bipy) in the presence of some selected aromatic diamines (L) (L = 3,4-diamino benzoic acid (DABA), 2-hydazinopyridine (hzpy) or 4-chloro- o-phenylenediamine has been studied by pH-metric titrations. Potentiometric measurements show that ternary complexes are formed in a simultaneous manner. The pH-titrations of the reaction mixtures are shown to yield 1:1:1 ternary complex formation. The equilibrium and formation constants of the resulting ternary complexes have been calculated at I = 0.1 mol·dm of NaNO. The order of stability in terms of the secondary ligands has been found to be DABA > hzpy > CAPA. The stability of ternary complexes was quantitatively compared with their corresponding binary complexes in terms of the parameters Δlog K, Δlog β and log X. The concentration distributions of various species formed in solution were also evaluated as a function of pH. In addition, the effect of temperature on both the ionization process of the ligands and complex formations for Cu-Bipy-L ternary systems was studied. The thermodynamic parameters were calculated from the temperature dependence of the equilibrium constants and are discussed. The structure of the Cu(II) complexes have been geometrically optimized using the parameterized PM3 semiempirical method. [ABSTRACT FROM AUTHOR]

The review is mainly concerned with the protonation equilibria of biologically active ligands like amino acids, peptides, DNA constituents, and amino acid esters in nonaqueous media. Equilibrium concentrations of proton-ligand formation as a function of pH were investigated. Also, thermodynamics associated with protonation equilibria were also discussed. [ABSTRACT FROM AUTHOR]

Schiff bases (SBs) are aldehyde- or ketone-like compounds in which the carbonyl group is replaced by an imine or azomethine. In spite of the large interest always shown in the coordination properties of Schiff base ligands and the attention paid in recent years to the possible variable biological activities of their metal complexes, studies dealing with protonation and formation equilibria of Schiff bases and their complexes are still very rare. Thus, the importance of the determination of the equilibrium constants of Schiff bases and their complex formation equilibria is of paramount importance to understand the complicated biological reactions like transamination, racemization and decarboxylation. The 33 ligands considered herein include salicylaldehyde/substituted salicylaldehyde SBs and salicylaldehyde/substituted salicylaldehyde amino acid SBs. This article is focused on protonation and complex-formation equilibria of salicylaldehyde or substituted salicylaldehyde SBs and salicylaldehyde amino acid SBs in aqueous and nonaqueous solutions, taking into account also the structure-activity correlation of SBs and their metal(II) complexes based on their stability constants. Activity of SBs enhances upon complexation and the order of activity is nearly in accord with the order of the formation constants of metal ions. The few enthalpy and entropy changes available for such protonation and complex-formation reactions are reported and discussed. [ABSTRACT FROM AUTHOR]

Highlights: [•] Mixed bivalent transition metal complexes of phen and thiosemicarbazone were synthesized. [•] Characterization of these complexes was investigated using different tools of analysis. [•] Molecular modeling calculations of the compounds were performed. [•] The biological activity of the free compounds and their metal-chelates were investigated. [•] Structure–activity relationship was discussed [ABSTRACT FROM AUTHOR]

Highlights: [•] Transition metal complexes with cetirizine (CTZ) were synthesized and characterized. [•] Protonation equilibria were calculated for (CTZ) and thermodynamics were discussed. [•] Complex formation equilibria and speciation of binary M(II)–CTZ were investigated. [•] The biological activity of the free CTZ and its metal-chelates were investigated. [ABSTRACT FROM AUTHOR]

Proton-ligand association constants of imidazole-4-acetic acid (IMA) were determined potentiometrically in aqueous solution at different temperatures in the range 15-35 °C. The stepwise stability constants of IMA with some selected bivalent transition metal ions were also determined in 0.1 mol·dm NaNO. The stability of the complexes follows the trend Cu > Ni > Co > Mn, which is in agreement with the Irving-Williams order of the metal ions. The thermodynamic parameters for Cu(II)-IMA complex formation were derived and discussed. The ternary complexes Cu(IMA)L (IMA = imidazole-4-acetic acid, HL = amino acid, amides or DNA constituents) have been investigated. Ternary complexes of amino acids or amides are formed by a simultaneous mechanism. Amino acids form the complex Cu(IMA)L, whereas amides form two complex species Cu(IMA)L and Cu(IMA)(LH). The DNA constituents form both 1:1 and 1:2 complexes. The stabilities of ternary complexes are quantitatively compared with their corresponding binary complexes. The concentration distribution of the complexes in solution was evaluated as a function of pH. [ABSTRACT FROM AUTHOR]

The protonation constants of some α-amino acids (glycine (Gly), l-alanine (Ala), l-valine (Val), l-serine (Ser), l-leucine (Leu) and l-isoleucine (Ile)) were studied in water and DMSO-water solution mixtures containing 30, 50 and 70 vol-% DMSO; in addition the complex formation equilibria of their copper(II) complexes were studied by potentiometric technique using a combined pH electrode system calibrated in concentration units of the hydrogen ion at 25 ± 0.1 °C under a nitrogen atmosphere, and at an ionic strength of 0.10 mol·dm NaNO. The protonation constants and the overall stability constants of copper(II) complexes were influenced by changes in solvent composition, and their variations are discussed in terms of solvent and structural properties. [ABSTRACT FROM AUTHOR]

Abstract: In the present study, a new hydrazone ligand (2-((2-phthalazin-1-yl)hydrazono)methyl)phenol) prepared by condensation of hydralazine (1-Hydralazinophthalazine) with salicylaldehyde (SAH). The synthesized SAH-hydrazone and its metal complexes have been characterized by elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance, mass spectra, UV–vis and thermal analysis (TGA). The analytical data of the complexes show the formation of 1:1 [M:L] ratio, where M represents Ni(II), Co(II) and Cu(II) ions, while L represents the deprotonated hydrazone ligand. IR spectra show that SAH is coordinated to the metal ions in a tridentate manner through phthalazine-N, azomethine-N and phenolic-oxygen groups. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. Proton-ligand association constants of (SAH) and the stepwise stability constants of its metal complexes are determined potentiometrically in 0.1M NaNO3 at different temperatures and the corresponding thermodynamic parameters were derived and discussed. The order of −ΔG° and −ΔH° were found to obey Mn2+

Binary and mixed-ligand complexes of zinc(II) involving 2-(aminomethyl)-benzimidazole (AMBI) and amino acids, peptides (HL) or DNA constituents have been investigated. Ternary complexes of amino acids or peptides are formed simultaneously. Amino acids form the complex Zn(AMBI)L, whereas amides form two complex species Zn(AMBI)L and Zn(AMBI)(LH). The ternary complexes of zinc(II) with AMBI and DNA are formed in a stepwise process, whereby binding of zinc(II) to AMBI is followed by ligation of the DNA constituents. The stability of ternary complexes is quantitatively compared with their corresponding binary complexes in terms of the parameters Δlog K, log β and log X. The effect of the side chains of amino acid ligands (Δ) on complex formation is discussed. The values of Δlog K indicated that the ternary complexes containing aromatic amino acids are significantly more stable than the complexes containing alkyl- and hydroxyalkyl-substituted amino acids. This may be taken as evidence for a stacking interaction between the aromatic moiety of AMBI and the aromatic side chains of the bio-active ligands. The concentration distributions of various species formed in solution were also evaluated as a function of the pH. [ABSTRACT FROM AUTHOR]

Abstract: Schiff base ligand, 1,4-bis[(2-hydroxybenzaldehyde)propyl]piperazine (BHPP), and its Cu(II), Ni(II) and Co(II) metal complexes were synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance and spectral (IR and UV–vis) studies. The ground state of BHPP ligand was investigated using the BUILDER module of MOE. Metal complexes are formed in the 1:1 (M:L) ratio as found from the elemental analysis and found to have the general formula [ML]·nH2O, where M=Co(II), Ni(II) and Cu(II), L=BHPP. In all the studied complexes, the (BHPP) ligand behaves as a hexadentate divalent anion with coordination involving the two azomethine nitrogen’s, the two nitrogen atoms of piperazine ring and the two deprotonated phenolic OH-groups. The magnetic and spectral data indicates octahedral geometry of metal(II) complexes. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. They were found to be more active against Gram-positive than Gram-negative bacteria. Protonation constants of (BHPP) ligand and stability constants of its Cu2+, Co2+ and Ni2+ complexes were determined by potentiometric titration method in 50% DMSO–water solution at ionic strength of 0.1M sodium nitrate. It has been observed that the protonated Schiff base ligand (BHPP) have four protonation constants. The divalent metal ions Cu2+, Ni2+ and Co2+ form 1:1 complexes. [Copyright &y& Elsevier]

A comprehensive review of organotin(IV) hydrolysis and complex formation equilibria with amino acids, peptides and DNA constituents is presented with special reference to solution and coordination chemistry studies. The review focuses on results obtained in the author's laboratory and related work of other groups. Also, published studies on these complexes were reviewed with emphasis on their biological aspects. [ABSTRACT FROM AUTHOR]

Premature ovarian failure (POF) is a disorder that occurs before the age of 40 among women and characterized by amenorrhea. POF usually occurs due to autoimmune disorders, X-chromosome disorders, viral infections, or after chemotherapeutic treatment. POF can be discovered either by histopathology or by using molecular techniques such as real-time PCR to measure the expression of miRNAs that has a role in POF development. Cyclophosphamide (CP) is a well-known chemotherapy used in the treatment of leukemia, lymphoma, and breast cancer, but it has many harsh side effects on many body organs such as the heart, liver, and gonads, especially after high doses administration. Cyclophosphamide-induced POF usually ends with a loss of follicles and granulose cell damage. Herbal medicine is the promising therapeutic approach of POF especially because of its great safety, availability, and low cost. Moringa oleifera (MO) is a plant distributed all around the world; cultivated in tropical and subtropical areas. It has antioxidant and antimicrobial activity and high nutritional and medicinal values and it is also used in different industries as cosmetics and lubricants for machines. Different parts of its plant are used in the treatment of edema, skin infections, inflammations, rheumatism, fever, anemia, bronchitis, and digestive problems. Furthermore, MO has a great promising effect on treating the toxicity of ovaries caused by chemotherapy or heavy metals. On the other side, Withania somnifera (Ashwagandha) is also a herb with great medical importance that is cultivated in tropical and sub-tropical countries, and it has anti-cancer activities, anti-inflammatory and antimicrobial activities. It plays a role in regulating the hormonal balance and enhancing the gonads activity by increasing the ovaries' weight. It enhances immunity due to its high antioxidant activities. Ashwagandha can reduce stress, anxiety, and depression. Furthermore, it can reduce the symptoms of COVID-19. The leaves and roots are used in treating fever and joint inflammation, and roots have also been nominated among the drugs that neutralize the effect of snake venom. [ABSTRACT FROM AUTHOR]

Seven-coordinate Fe(EDTA)-L complexes, where L represents a DNA constituent (uracil, uridine, thymine, thymidine and inosine), methylamine, ammonium chloride or imidazole, were investigated to resolve the solution chemistry of this system. The results show formation of 1:1 complexes with DNA constituents and the other ligands, supporting the hepta-coordination mode of Fe(III) ion. Stability constants of the complexes were measured by potentiometric titration at 25 °C and ionic strength 0.1 mol⋅L NaNO. The hydrolysis constant of [Fe(EDTA)(HO)] and the formation constants of the complexes formed in solution were calculated using the non-linear least-squares program MINIQUAD-75. The concentration distributions of the various complex species were evaluated as a function of pH. The thermodynamic parameters Δ H and Δ S, calculated from the temperature dependence of the equilibrium constants, were determined for the Fe(EDTA)-uracil complex. The effect of dioxane as a solvent on the protonation constant of uracil, hydrolysis constants of [Fe(EDTA)(HO)], and the formation constants of the Fe(EDTA)-uracil complex are discussed. [ABSTRACT FROM AUTHOR]

The interaction of trimethyltin(IV) (TMT) with imino-bis(methylphosphonic acid) (IDP), abbreviated as HL, was investigated at 25 °C and at ionic strength 0.1 mol⋅dm (NaNO) using a potentiometric technique. The formation constants of the complexes formed in solution were calculated using the nonlinear least-squares program MINIQUAD-75. The stoichiometry and stability constants are reported for the complexes formed. The results show the formation of 110, 111, 112 and 11-1 complexes for the TMT-IDP system. The concentration distribution of the various complex species was evaluated. The effect of dioxane as a solvent, on both the protonation constants and the formation constants of trimethyltin(IV) complexes with IDP, is discussed. The thermodynamic parameters Δ H and Δ S calculated from the temperature dependence of the equilibrium constants were evaluated. The effect of ionic strength on the protonation constants of IDP is also discussed. [ABSTRACT FROM AUTHOR]

The kinetics of base hydrolysis of the alanine ethyl ester, in addition to glycine, histidine and methionine methyl esters in the presence of the Zn-NTP complex, were studied in aqueous solution by the pH-potentiometric technique, where NTP denotes the nitrilo-tris(methyl phosphonic acid) ligand. The kinetic data fits assumed that hydrolysis proceeds through formation of a M-OH complex, followed by an intramolecular OH attack. The effect of an organic solvent on the hydrolysis of coordinated esters was investigated by measuring the rate of hydrolysis in dioxane-water solutions of different compositions at t=25.0 °C and I=0.1 mol⋅dm. The kinetics of base hydrolysis of the glycine methyl ester was studied at different temperatures. Activation parameters for the base hydrolysis of the complexes were evaluated. [ABSTRACT FROM AUTHOR]

Thermodynamic parameters for protonation of 1,4-bis(3-aminopropyl)-piperazine (BAPP) and itsmetal complexation with some divalent metal ions were determined in aqueous solution at constant ionic strength (0.1M NaNO3) using a potentiometric technique. The order of -ΔG0 and -ΔH0 was found to obey Co2+ < Ni2+ < Cu2+ > Zn2+, in accordance with the Irving-Williams order. The formation equilibria of zinc (II) complexes and the ternary complexes Zn(BAPP)L, where L = amino acid, amides, or DNA constituents), have been investigated. Ternary complexes are formed by a simultaneous mechanism. The concentration distribution of the complexes in solution was evaluated as a function of pH. Stoichiometry and stability constants for the complexes formed are reported and discussed. The stability of ternary complexes was quantitatively compared with their corresponding binary complexes in terms of the parameter Δlog K. [ABSTRACT FROM AUTHOR]

Abstract: Schiff base namely 2-aminomethylthiophenyl-4-bromosalicylaldehyde (ATS)(4-bromo-2-(thiophen-2-yl-imino)methylphenol) and its metal complexes have been synthesized and characterized by elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance, mass spectra, ESR and thermal analysis (TGA). The analytical data of the complexes show the formation of 1:2 [M:L] ratio of the formula [ML2], where M represents Ni(II), Zn(II) and Cu(II) ions, while L represents the deprotonated Schiff base. IR spectra show that ATS is coordinated to the metal ions in a bidentate manner through azomethine-N and phenolic-oxygen groups. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria. A cytotoxicity of the compounds against colon (HCT116) and larynx (HEP2) cancer cells have been studied. Protonation constants of (ATS) ligand and stability constants of its Cu2+, Co2+, Mn2+, Zn2+ and Ni2+ complexes were determined by potentiometric titration method in 50% (v/v) DMSO–water solution at ionic strength of 0.1M NaNO3. [Copyright &y& Elsevier]

The hydrolysis of amino acid esters is catalysed by the palladium(II) complex [Pd(Pic)]2+ (Pic = 2-picolylamine). The reaction has been studied by the pH-stat technique. The overall PdII chelate-promoted hydrolysis of the ethyl esters of glycine and alanine may be accounted by inter- and intramolecular mechanisms depicted in Eqns (1) and (2) respectively. [Pd(Pic)(NH2CH(R)CO2R]2+ + OH- k1→[Pd(Pic)(NH2CH(R)CO2]+ + ROH (1) [Pd(Pic)(NH2CH(R)CO2R(OH)]+ + k2→[Pd(Pic)(NH2CH(R)CO2)] + ROH (2) The kinetic data for histidine and methionine methyl esters are fitted assuming that hydrolysis proceeds solely by the intermolecular mechanism [Eqn (1)]. The rate enhancement compared with the free ester is discussed in terms of the structure of the complex. Activation parameters associated with the hydrolysis have been determined and discussed. [ABSTRACT FROM AUTHOR]

Formation equilibria of cobalt(II) complexes of 2-(aminomethyl)-benzimidazole (AMBI) and the ternary complexes Co(AMBI)L (L = aliphatic or aromatic dicarboxylic acids) were investigated in aqueous solutions at 25 °C and 0.1 mol⋅dm ionic strength. Stoichiometry and stability constants are reported for the complexes formed. The speciation of the complexes was resolved. Values of $\log_{10}\ (K_{\mathrm{Co(AMBI)L}}^{\mathrm{Co(AMBI)}})$ and Δlog K are calculated and discussed. The effect of chelate ring size of the dicarboxylic acid complexes on their stability constants was examined. The effect of temperature on the dissociation constant of AMBI, CBDCA, and the formation constant of Co(AMBI) and Co(AMBI)-CBDCA complexes was studied and the thermodynamic parameters were calculated. Formation of the metal complexes has been found to be spontaneous, exothermic and entropically favorable. The solid complexes of [Co(AMBI)L] (L = oxalic acid, 1,1-cyclobutanedicarboxylic acid (CBDCAH) and malonic acid) have been synthesized and characterized by elemental analysis, infrared, spectra, magnetic and conductance measurements. Electronic spectra and μ values suggest a tetrahedral geometry for Co(II)-complexes. The isolated metal chelates have been screened for their antibacterial activities and the complexes show a significant antibacterial activity against Pseudomonas fluorescence (Gram −ve) and Bacillus subtilis (Gram +ve). The activity increases at higher concentration of the compounds. [ABSTRACT FROM AUTHOR]

Binary and ternary complexes of zinc(II) involving nitrilo-tris(methyl phosphonic acid (H6A) and amino acids, peptides (HL), or DNA constituents have been investigated. The stoichiometry and stability constants for the complexes formed are reported. The results show that ternary complexes are formed in a stepwise manner whereby nitrilo-tris(methylphosphonic acid) binds to zinc(II), which is then followed by coordination of an amino acid, peptide or DNA. Zinc(II) was found to form ZnA and ZnAH n complex species where n=3, 2 or 1. The stabilities of the ternary complexes are compared with the stabilities of their corresponding binary complexes. The concentration distributions of the various complex species have been evaluated. The kinetics of the base hydrolysis of glycine methyl ester in the presence of Zn(II)-NTP complexes was studied in aqueous solution using a pH-stat technique. The p Ka for ionization of the coordinated water molecule is 9.14 as determined from the kinetic results, while direct potentiometric titration of the complex [Zn(NTP)(H2O)] gave 9.98 (±0.02). The rate constant for the intramolecular attack of coordinated hydroxide on the ester is k=(2.65×10−4±0.003) dm3⋅mol−1⋅s−1. [ABSTRACT FROM AUTHOR]

Abstract: We report the synthesis of the hydrazone ligands, 1-(phenyl-hydrazono)-propan-2-one (PHP), 1-(p-tolyl-hydrazono)-propan-2-one (THP), 1-[(4-chloro-hydrazono)]-propan-2-one (CHP), and their Ni(II) and Cu(II) metal complexes. The structure of the ligands and their complexes were investigated using elemental analysis, magnetic susceptibility, molar conductance and spectral (IR, UV, and EPR) measurements. IR spectra indicate that the free ligands exist in the hydrazo-ketone rather than azo-enol form in the solid state. Also, the hydrazo-NH exists as hydrogen bonded to the keto-oxygen either as intra or as intermolecular hydrogen bonding. In all the studied complexes, all ligands behave as a neutral bidentate ligands with coordination involving the hydrazone-nitrogen and the keto-oxygen atoms. The magnetic and spectral data indicate a square planar geometry for Cu2+ complexes and an octahedral geometry for Ni2+ complexes. The ligands and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. They were found to be more active against Gram-positive than Gram-negative bacteria. It may be concluded that the antimicrobial activity of the compounds is related to cell wall structure of bacteria. Protonation constant of (PHP) ligand and stability constants of its Cu2+ and Ni2+ complexes were determined by potentiometric titration method in aqueous solution at ionic strength of 0.1M sodium nitrate. It has been observed that the hydrazone ligand (PHP) titrated here has one protonation constant. The divalent metal ions Cu2+ and Ni2+ form with (PHP) 1:1 and 1:2 complexes. The insolubility of (THP) and (CHP) ligands in aqueous medium does not permit the determination of their protonation constants and formation constants of the corresponding complexes in aqueous solution. [Copyright &y& Elsevier]

Abstract: The synthesis and structural characterization of mixed ligand complexes derived from 2-(2-pyridyl)-benzimidazole (PBI) (1ry ligand) and aliphatic or aromatic dicarboxylic acids (2ry ligand) are reported. Cu(II) complexes were characterized on the bases of their elemental analyses, IR, ESR and thermal analyses. The elemental analysis indicated the formation of mixed ligand complexes in a mole ratio 1:1:1 (Cu:L1:L2), L1 =PBI and L2 =oxalic acid, phthalic acid or malonic acid. IR spectra showed that PBI acts as a neutral bidentate coordinated to the Cu(II) via the pyridyl and imidazolyl nitrogen atoms. The dicarboxylic acids are bidentate with monodentate carboxylate groups. Thermal decomposition study of complexes was monitored by thermogravimetric (TG) and derivative thermogravimetric (DTG) analysis in N2 atmosphere. The decomposition course and steps were analysed and the activation parameters of the nonisothermal decomposition were calculated from the TG curves and discussed. The isolated metal chelates were screened for their antimicrobial activities and the results are reported, discussed and compared with some known antibiotics. [Copyright &y& Elsevier]

Abstract: The formation equilibria of copper(II) complexes and the ternary complexes Cu(PDC)L (PDC=2,6-bis-(hydroxymethyl)-pyridine, HL=amino acid, amides or DNA constituents) have been investigated. Ternary complexes are formed by a simultaneous mechanism. The results showed the formation of Cu(PDC)L, Cu(PDC, H−1)(L) and Cu(PDC, H−2)(L) complexes. The concentration distribution of the complexes in solution is evaluated as a function of pH. The effect of dioxane as a solvent on the protonation constant of PDC and the formation constants of Cu(II) complexes are discussed. The thermodynamic parameters and calculated from the temperature dependence of the equilibrium constants are investigated. [Copyright &y& Elsevier]

Abstract: Formation equilibria of copper(II) complexes of 2-(aminomethyl)-benzimidazole (AMBI) and the ternary complexes Cu(AMBI)L (L=amino acid, amide, dicarboxylic acid or DNA constituents) have been investigated. Ternary complexes of amino acids or amides are formed by a simultaneous mechanism. Amino acids form the complex Cu(AMBI)L, whereas amides form two complex species Cu(AMBI)L and Cu(AMBI)(LH−1). The ternary complexes of copper(II) with AMBI and dicarboxylic acids or DNA units are formed by a stepwise mechanism, whereby binding of copper(II) to AMBI is followed by ligation of the dicarboxylic acids or DNA components. The values of Δ log K indicate that the ternary complexes containing aromatic amino acids are significantly more stable than the complexes containing alkyl- and hydroxyalkyl-substituted amino acids. This may be taken as an evidence for a stacking interaction between the aromatic moiety of AMBI and the aromatic side chains of the bio-active ligands. The solid complexes Cu(AMBI)L where L=1,1-cyclobutanedicarboxylic acid (CBDCA) and malonic acid were separated and identified by elemental analysis and infrared spectroscopy and magnetic moment. The decomposition course and steps for the isolated complexes were analyzed and the kinetic parameters of the non-isothermal decomposition were calculated. The hydrolysis of glycine methyl ester (MeGly) is catalyzed by the Cu(AMBI)2+ complex. The kinetic data is fitted assuming that the hydrolysis reaction proceeds in two steps. The first step, involving coordination of the amino acid ester by the amino and carbonyl groups, is followed by rate-determining attack by OH− ion. The second step involves the equilibrium formation of the hydroxo-complex Cu(AMBI)(MeGly)(OH) followed by intramolecular OH− attack. [Copyright &y& Elsevier]

The complex formation reactions of [Cu(NTP)(OH 2 )] 4- (NTP&ThickSpace;=&ThickSpace;nitrilo-tris(methyl phosphonic acid)) with some selected bio-relevant ligands containing different functional groups, are investigated. Stoichiometry and stability constants for the complexes formed are reported. The results show that the ternary complexes are formed in a stepwise mechanism whereby NTP binds to copper(II), followed by coordination of amino acid, peptide or DNA. Copper(II) is found to form Cu(NTP)H n species with n &ThickSpace;=&ThickSpace;0, 1, 2 or 3. The concentration distribution of the various complex species has been evaluated. The kinetics of base hydrolysis of glycine methyl ester in the presence of copper(II)-NTP complex is studied in aqueous solution at different temperatures. It is proposed that the catalysis of GlyOMe ester occurs by attack of OH - ion on the uncoordinated carbonyl carbon atom of the ester group. Activation parameters for the base hydrolysis of the complex [Cu(NTP)NH 2 CH 2 CO 2 Me] 4- are, ΔH ± &ThickSpace;=&ThickSpace;9.5&ThickSpace;±&ThickSpace;0.3&ThickSpace;kJ&ThickSpace;mol -1 and ΔS ± &ThickSpace;=&ThickSpace;-179.3&ThickSpace;±&ThickSpace;0.9&ThickSpace;J&ThickSpace;K -1 &ThickSpace;mol -1 . These show that catalysis is due to a substantial lowering of ΔH ± . [ABSTRACT FROM AUTHOR]

Binary and ternary complexes of Cu(II) involving imino-bis(methyl phosphonic acid) (IdP) abbreviated as H4A and some selected bio-ligands, amino acids, peptides and DNA constituents (L), were examined. Cu(II) forms CuA and CuAH complexes with IdP. Ternary complexes are formed in a stepwise mechanism whereby iminodiphosphonic acid binds to Cu(II), followed by coordination of amino acid, peptide or DNA. The concentration distribution of the various complex species has been evaluated. The kinetics of base hydrolysis of glycine methyl ester in the presence of Cu(II)-IdP was studied in aqueous solution at different temperatures, and in dioxane-water solutions of different compositions at 25°C. The activation parameters are evaluated and discussed. [ABSTRACT FROM AUTHOR]

• Synthesis the pure and metal doped magnesium aluminate spinel (MAS, MgA12O4) nanopowders using sol-gel method and characterized by different technique. • Measurement the optical properties of pure and metal doped MAS. • Nano powder has been applied as an adsorbent for BCG dye removal. • Optimization of different factors affecting the efficiency of the prepared MAS as an adsorbent for BCG dyes removal. • The equilibrium time for MAS nanopowder was 120 min. for BCG dye with removal efficiency of 94.60 %. A synthetic material having a cubic crystal structure and exceptional chemical, thermal, dielectric, mechanical, and optical capabilities is magnesium aluminate (MgAl 2 O 4) spinel. These characteristics made magnesium aluminium oxide (MgAl 2 O 4) an essential material for optically transparent windows, domes, armour, and some refractory applications. This research proposes an innovative and low-cost method for producing spinel magnesium aluminate (MgAl 2 O 4). Sol-gel auto-combustion method synthesis approach by ammonium hydroxide precipitation and citric acid as a fuel were used to create MgAl 2 O 4 nanocrystalline materials. The gels were dried at 120 °C while being doped with various vanadium ion concentrations with the same amount of rare earth Eu3+ ions and then calcined at 1100 °C for 8 h. Highly crystalline MgAl 2 O 4 :V3+:Eu3+ was obtained under fuel-rich conditions only. Physical and chemical methods, including X-ray diffraction, scanning and transmission electron microscopes, Fourier transform infrared spectroscopy, Raman spectroscopy, UV–VIS-NIR spectrophotometry and photoluminescence analysis, were used to characterize the produced spinel materials. The effects of adsorbent dosage, contact time, and initial concentrations on total bromocresol green (BCG) removal from wastewater were studied using real wastewater. Optimal conditions were found for total BCG removal. BCG removal and adsorption capacity of MgAl 2 O 4 :0.05V3+:0.011Eu3+ nanoparticles were achieved as 96.40 % and 90.10 %, respectively. In addition, other optimum conditions of adsorbent dosage and contact time were found as 1.5 g/L and 120 min. in this study, respectively. The removal of BCG using MgAl 2 O 4 :V3+:Eu3+ NPs was fitted with Langmuir isotherm kinetic model. The results indicated that MgAl 2 O 4 :V3+:Eu3+ nanospinel was suitable adsorbents for the removal of BCG from industrial wastewater. [Display omitted] [ABSTRACT FROM AUTHOR]

• A novel compost application alleviate the negative effects of drought, Cd and salinity stress on sugar beet plants. • Growth and plant water status (RWC and MSI) of sugar beet plants were supported beneficially by NC application under various stresses. • The NC improved soil physico-chemical properties and reduced the Cd uptake in sugar beet leaves and roots. • Root and white sugar yields and irrigation use efficiency increased by NC application under water stress. Supplying novel compost [70:30 w/w sugarcane bagasse and animal blood used as composting raw materials] under deficit drip irrigation conditions could be a practical solution to avoid the detrimental effects of irrigation shortage on sugar beet grown in cadmium (Cd)-contaminated salty soil. In this regard, two experiments were conducted in open field during 2016/17 and 2017/18 at El Fayoum region, Egypt. Three novel compost (NC) rates (0, 10 and 20 t ha−1) were supplied as a soil amendment combined with three irrigation levels [100, 80 and 60% of crop evapotranspiration (ETc)]. The NC improved soil properties and reduced leaves and roots Cd uptake. Sugar beet yield, quality, and irrigation use efficiency (IUE) were positively affected by irrigation regime and by NC rates. Leaf area, dry matter, relative water content (RWC%), chlorophyll fluorescence, chlorophyll content (SPAD), harvest index (HI) and membrane stability index (MSI%), were also positively affected by irrigation quantity and by NC rates. The highest yields [root yield (97.2, t ha−1), biomass yield (32.3, t ha−1) and white sugar (15.2 t ha−1) were recorded under fully irrigated and 20 t ha−1 of NC. Novel compost of 20 t ha−1and 10 t ha−1 significantly (p ≤ 0.05), in particular, increased root yield by 53.49 and 15.93% compared to control. The results revealed that the detrimental impacts of drought stress can be greatly reduced by using NC as a soil amendment for sugar beet production. The results also revealed Combining deficit irrigation and NC maximized crop water productivity. [ABSTRACT FROM AUTHOR]

Development of new rice hybrids with high-yielding and superior in grain quality is the most important goal to enhance food security as well as to achieve consumer requirements. High seed costs and poor grain quality are the major limiting factors for adoption of hybrid rice. A practical way to improve hybrid seed quality and to increase production is possible to increase the seed setting rate through improving the floral traits for parental lines. In the context, the study was conducted at the Rice Farm and Laboratories of Sakha Agricultural Research Station, Sakha, Kafr El-Sheikh, Egypt in consecutive three rice growing seasons in 2015, 2016 and 2017. The study focused mainly on characterization of the new promising hybrid 'G46A/GZ9399R' and its parental lines. The cytoplasmic male sterile (CMS) line and restorer line were evaluated for twenty-three floral traits that influence outcrossing rate in hybrid rice under two seasons and there was a marked stability for most of these traits. As compared with commercial check variety 'Giza 178', the new promising hybrid 'G46A/GZ9399R' showed its superiority in all agro-morphological traits except plant height. This hybrid was very early, adapted widely and recorded 20.19% more yield than commercial check variety ' Giza 178'. Instead, this hybrid produced superiority in all grain quality properties except grain length was medium grain and amylose content was equal for both studied genotypes compared to the check variety. In parallel, the assessment of genetic purity established the SSR markers RM154, RM331, and RM297, amplified alleles specific to differentiate parental lines of hybrid 'G46A/GZ9399R'. [ABSTRACT FROM AUTHOR]

Abstract Schiff bases complexes of Co(II) and Ni(II) ions with diethyl 3,3'-(ethane-1,2-diylbis (azaneylylidene)) (3E, 3′ E)-dibutyrate (H 2 L1) and (3E, 3′ E)-3,3'-(ethane-1,2-diylbis (azanylylidene))bis (N -(pyridin-2-yl)butanamide) (H 2 L2) have been synthesized, characterized and analytically formulated as [Co 2 (L1)Cl 2 ·2H 2 O]·H 2 O (1) , [Ni 2 (L1)Cl 2 ·6H 2 O]·2H 2 O (2) , [Co 2 (H 2 L2)Cl 4 ·2H 2 O]·H 2 O (3) and [Ni(H 2 L2)Cl 2 ]·H 2 O (4). The IR spectral data revealed that H 2 L1 ligand behaves as a N 2 O 2 binegative tetradentate in (1) and (2) through the oxygen of both enolized carbonyl (C O) groups and the nitrogen of two newly formed (C N)∗ groups. While H 2 L2 acts as neutral NNOONN hexadentate in (3) and as a neutral NNOO tetradentate in (4). The spectral and magnetic studies suggests a tetrahedral coordination geometry for complex (1) and octahedral geometry for other complexes. In addition, thermal degradation curves have been discussed for complexes in order to estimate their kinetic and thermodynamic parameters by two comparable methods. Various descriptors have been estimated using DFT calculations. Moreover, the anti-microbial activities and MTT cytotoxicity assay of the compounds have been examined. Graphical abstract Image 1 Highlights • Co(II) and Ni(II) complexes of new Schiff base ligands have been isolated. • 1HNMR, 13CNMR and mass spectra of both Schiff base ligands were determined. • Thermal behavior were studied for the metal complexes using TGA technique. • DFT studies were utilized to confirm the geometry. • Antimicrobial activity and MTT assay were tested for the investigated compounds. [ABSTRACT FROM AUTHOR]

Metallic antitumor drugs with heterocyclic ligands, such as novel AMI (amino methyl imidazole) complexes [Pd(AMI)Cl2](1), [Cu(AMI)L1](2), and [Cu(AMI)L2·2H2O](3) where L1 = oxalate and L2 = malonate, were synthesized and characterized. Assessments included elemental analyses, mass spectrometry, Fourier transform-infrared spectroscopy, ultraviolet–visible spectroscopy, and thermal analysis. The cytotoxicity of AMI complexes compared to cisplatin was assessed using MTT (3-[4,5-dimethylthiazol-2-yl] 2,5diphenyl tetrazolium bromide) assay with breast (MCF-7) and cervical (HeLa) cancer cell lines. After treating these cells with the AMI complexes' IC50 values for 48 h, malondialdehyde levels and catalase activity were used to assess oxidative stress, antioxidant activity was evaluated with DPPH radical scavenging method, comet assays assessed DNA damage, and DNA fragmentation was evaluated using the gel electrophoresis. In vitro, antimicrobial activity was assessed using a disc diffusion method. The anticancer activity results showed that IC50 (half-maximal inhibitory concentration) values of complex one, two, and three against MCF-7 and HeLa cancer cells are 0.156 ± 0.0006, 0.125 ± 0.001, 0.277 ± 0.002 μM respectively for MCF-7 cells and 0.222 ± 0.0005, 0.126 ± 0.0009, 0.152 ± 0.001 μM respectively for HeLa cells. Complex two demonstrated strong anticancer activity against MCF-7 and Hela cells. The study of oxidative stress parameters revealed that Malondialdehyde levels increased in cancer cell lines treated with complexes compared to untreated cells. Catalase activity decreased in cells treated with palladium chelate. The DPPH radical scavenging assay results identified that complex one was a more potent antioxidant in MCF-7 and Hela cells than other complexes with SC50 values of 227.5 ± 0.28 and 361 ± 1.2 μL/mL, respectively. The comet assay results showed that complex two caused significant DNA damage in MCF-7 and HeLa cancer cells treated. Antimicrobial assays identified complex three as the most effective. Copper complexes give better antifungal activity against A. flavus than the palladium complex. We conclude that complex two is the most active in both cell types and might be assessed as a clinically useful drug for breast cancer treatment. The significance of the current study is the synthesis of antitumor drugs containing heterocyclic ligands, such as novel AMI complexes, and the study of their biological activities. [ABSTRACT FROM AUTHOR]

Aim of work: We conducted a case study to evaluate the surgical management of lobar intracerebral hemorrhage. Patients and Methods: This study included 20 patients who were diagnosed with Lobar ICH between January 2017 and December 2017, All cases were managed surgically. ICH is a neurological emergency and medical care should starts rapidly with stabilization of airway, breathing functions, circulation and other associated pathologies as fits and elevated blood pressure. CT scan was the standard diagnostic tool in the 1ry management of the cases. A routine preoperative investigation as CBC, PT was done. Cases admitted to a postoperative ICU for at least 48 hours and a follow up CT scan was done. Results: We observed all survivors for at least 2 months and asses our outcome using Glasgow Outcome Scale. Conclusion: Care of such cases and rehabilitation plays an important role to have a good prognosis. [ABSTRACT FROM AUTHOR]

Review: 120 refs. [ABSTRACT FROM AUTHOR]

Background: The P53 protein has an essential role in several cellular processes, including DNA repair, apoptosis, and cell cycle arrest. The pathophysiology of many cancer types has frequently been linked to polymorphisms in the TP53 locus. Over 200 single nucleotide polymorphisms (SNPs) have been identified in TP53. However, Pro72Arg (rs1042522) at codon 72, shows contradictory results in terms of cancer risk. In this study, we aimed to determine if the Pro72Arg (rs1042522) SNP in the TP53 gene would be linked to breast cancer (BC) risk among Egyptian patients. Materials and Methods: Genomic DNA was extracted from blood samples of 100 healthy volunteers and 100 breast cancer patients (50 familial and 50 non-familial). TP53 Genotyping was performed using tetra-primer amplification refractory mutation (Tetra-ARMS) PCR. Data were analyzed using SNPstat software. Results: The prevalence of TP53 (Pro72Arg) rs1042522 genotypes carrying the high-risk allele [Pro/Arg (CG) and Arg/Arg (GG)] were significantly higher in BC patients compared to healthy volunteers and were associated with BC susceptibility (OR 0.2; [95% CI 0.11–0.38]; P = 0.0001). However, there was no statistical significant difference in the prevalence of TP53 (Pro72Arg) rs1042522 genotypes carrying the high-risk allele between familial and non-familial BC patients. In addition, there was no association between the prevalence of TP53 (Pro72Arg) rs1042522 genotypes carrying the high-risk allele and BC patients' clinical and pathological characteristics including tumor size, tumor grade, lymph node status, presence of lymphovascular invasion, expression of ER, PR and Her-2 in both of familial and non-familial BC patients. Conclusions: TP53 (Pro72Arg) rs1042522 is more prevalent among BC patients but not associated with disease progression. [ABSTRACT FROM AUTHOR]

First-generation RET inhibitors were multi-tyrosine kinase inhibitors (TKIs) derived from secondary pharmacology targeting the adenine-binding pocket that resulted in poor clinical outputs. Recently developed second-generation RET inhibitors (primary pharmacology derived) exploit in addition further vulnerabilities within the active site e.g. the post-lysine pocket (PKP). We define the structural and dynamical determinants conferring high selectivity to these inhibitors agaisnt RET by targeting the PKP, making them clinically successful. [Display omitted] • The druggability landscape of the RET active site is determined by the structural dynamics of the P-loop and the αC helix. • RET selectivity is achieved by the occupancy of a small cryptic pocket adjacent to catalytic lysine defined by K758, L760, E768 and L772: the post-lysine pocket. • Efficient occupancy of the post-lysine pocket is restricted to a synchronous P-loop open and αC-in configuration, a distinctive feature of RET crystal structures. • LOXO-292 and BLU-667 target the post-lysine pocket and exploit extensive ATP mimicry. • Engineered mutants targeting the post-lysine pocket impact on inhibitor binding and sensitivity, as well as RET tyrosine kinase activity. The structural and dynamic determinants that confer highly selective RET kinase inhibition are poorly understood. To explore the druggability landscape of the RET active site in order to uncover structural and dynamic vulnerabilities that can be therapeutically exploited. We apply an integrated structural, computational and biochemical approach in order to explore the druggability landscape of the RET active site. We demonstrate that the that the druggability landscape of the RET active site is determined by the conformational setting of the ATP-binding (P-) loop and its coordination with the αC helix. Open and intermediate P-loop structures display additional druggable vulnerabilities within the active site that were not exploited by first generation RET inhibitors. We identify a cryptic pocket adjacent to the catalytic lysine formed by K758, L760, E768 and L772, that we name the post-lysine pocket, with higher druggability potential than the adenine-binding site and with important implications in the regulation of the phospho-tyrosine kinase activity. Crystal structure and simulation data show that the binding mode of highly-selective RET kinase inhibitors LOXO-292 and BLU-667 is controlled by a synchronous open P-loop and αC-in configuration that allows accessibility to the post-lysine pocket. Molecular dynamics simulations show that these inhibitors efficiently occupy the post-lysine pocket with high stability through the simulation time-scale (300 ns), with both inhibitors forming hydrophobic contacts further stabilized by pi-cation interactions with the catalytic K758. Engineered mutants targeting the post-lysine pocket impact on inhibitor binding and sensitivity, as well as RET tyrosine kinase activity. The identification of the post-lysine pocket as a new druggable vulnerability in the RET kinase and its exploitation by second generation RET inhibitors have important implications for future drug design and the development of personalized therapies for patients with RET-driven cancers. [ABSTRACT FROM AUTHOR]

A series of thiosemicarbazone (TSCN) compounds including ((E)-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (TSC1), (E)-N-ethyl-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (TSC2), and (E)-N-phenyl-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide) (TSC3) were synthesized and fully characterized by diverse spectroscopies, such as X-ray single-crystal, infrared, mass, proton nuclear magnetic resonance, and ultraviolet-visible. Potentiometric measurements, molecular modeling, and biological and antitumor activity screening were studied. The thermodynamics and protonation constants of TSC1 as a representative of the synthesized TSCs were calculated and discussed. The solution speciation of different species was studied with pH. The molecular parameters of the optimized structures were calculated and discussed. The X-ray single crystals of TSC2 and TSC3 were established. Considering the antimicrobial activities and correlating structure-activity relationship of the synthesized compounds, the TSC1 molecule was considered a promising candidate as an antifungal agent against Candida albicans. Thus, it would be extremely helpful in the field of medicinal chemistry, particularly as an antimicrobial agent. The results are of significance to the chemistry of antimicrobial agents. [ABSTRACT FROM AUTHOR]