Effects of bidentate coordination on the molecular properties rapta-C based complex using theoretical approach

In this work several quantum properties including the NEDA and QTAIM are computed on three models of rapta-C complexes using DFT with hybrid functional and basis set with ECP and without ECP. Several interesting correlations within the observed properties and also with the reported experimental behaviors of these complexes including their biological activities are presented. The study shows that the stability of the two complexes with bidentate ligands is associated with their high hydrogen bonding stability and existence of stronger non-covalent metal-ligand bonds. The energy decomposition analysis indicated that inter-atomic interactions in the three forms of rapta-C complexes and their stability are governed by the charge transfer term with significant contributions from polarization and electrostatic terms. The higher stability of complex 1 and 2 over 3 comes from the lower exchange repulsion and higher polarization contributions to their stability which agrees perfectly with the experimental observation. Our results provide insight into the nature of intramolecular forces that influence the structural stability of the three complexes.     

Sclerotium rolfsii management in tomato using Aframomum melegueta,Ocimum gratissimum and Cymbopogon citratus

Tomato (Lycopersicon esculentum Mill.) is a popular fruit vegetable in Nigeria but production is low due to diseases, among the various disease problems associated with tomato production is southern blight caused by Sclerotium rolfsii. This study was carried out to evaluate the efficacy of Aframomum melegueta, Ocimum gratissimum and Cymbopogon citratus in vitro and in vivo. Infected tomato stems were obtained from the experimental plots of National Horticultural Research Institute, Nigeria. Cultural and morphological identification of the organism was done with the use of microscope. A. melegueta seeds, fresh leaves of O. gratissimum and C. citratus were used. The experiment was replicated three times, radial growth (mm) was measured for 5?days at an interval of 24?h. The in vivo experiment was conducted using the same extracts in a screen house and the experiment was laid out in triplicates in completely randomised design with the synthetic fungicide as control. Data collected were subjected to analysis of variance and significant means were separated using Fisher’s Least Significant Difference at P???0.05. The results showed that the extracts differed significantly (P???0.05) in their potential to inhibit the growth of S. rolfsii. The highest reduction (1.27?mm) in radial growth was obtained with 5% O. gratissimum extract while the least (4.63?cm) was recorded with the control. Disease severity and fruit yield varied among the treatments. The highest yield (170.6?g) was obtained on plants treated with 5% O. gratissimum extract and this was comparable with the yield (155.8?g) obtained on plants treated with funguforce.     

Immunohistochemical localization of cadherin and catenin adhesion molecules in the murine growth plate.

Mouse tibial growth plates were examined for the presence of adhesion molecules using immunohistochemistry and RT-PCR. All of the components of the classical cadherin/catenin complex (cadherin, alpha-, beta-, and gamma-catenin), as well as a heavy presence of p120, were identified in the murine growth plate. All of the major cadherins (1-5, 11, 13, and 15) were, for the first time, identified and localized in the murine growth plate. We have demonstrated that most of the cadherins and catenins reside in the zone of hypertrophy. Only alpha-catenin and E-, P-, R-, and VE-cadherin were found in all regions of the growth plate. The results for T-cadherin were inconclusive.     

The anticalmodulin effect of aflatoxin B1 on purified erythrocyte Ca2+-AtPase

The genotoxic carcinogen aflatoxin B₁ (AFB₁) inhibited the calmodulin-stimulated membrane-bound (Ca²⁺Mg²⁺)-ATPase. Using the purified enzyme, 12 nmoles per ml of AFB₁ caused maximum inhibition of 28% and 50%, of the acidic phospholipid-stimulated and calmodulin-activated Ca²⁺-ATPase activity respectively. Treatment of red cell ghosts with increasing concentrations of Triton X-100, a non-ionic detergent caused a progressive loss of both the basal and calmodulin-stimulated Ca²⁺-ATPase activity. The activity of the phospholipid-free, detergent-solubilized enzyme was almost fully restored by phosphatidyl serine (PS) and its sensitivity to calmodulin was restored in the presence of phosphatidyl choline (PC). Analysis of the results obtained using varying concentrations of ATP shows that AFB₁ did not affect the Km and Vmax of the unstimulated enzyme whereas these parameters were reduced by about 75% and 50%, respectively, in the presence of calmodulin. Using the product of limited proteolysis by trypsin i.e. the 90 kDa fragment which still retains its calmodulin binding-domain and the 76 kDa fragment which has lost this domain, kinetic studies on the enzyme activity revealed that AFB₁ inhibited the calmodulin-activated 90 kDa fragment by about 50% while the 76 kDa was not affected at all by the toxin and calmodulin. The toxin had no significant affect on the basal activity of the 90 kDa limited proteolysis fragment of the enzyme. These observations suggest that AFB₁ inhibits the activated Ca²⁺-ATPase by binding to an important site in the calmodulin-binding domain of the enzyme. It seems likely that the toxin binds to tryptophan in the calmodulin-binding domain, thus causing a reduction in the rate at which this domain can interact with Ca²⁺-calmodulin or acidic phospholipids. The implication of these observations is that Ca²⁺-extrusion and other calmodulin-activated enzymes and processes may be slowed down during prolonged exposure to AFB₁ because of its anticalmodulin effect.Abbreviations ATP adenosine 5-triphosphate - EGTA ethylenglycolbis (-aminoethylether) N,N-tetraacetic acid - Hepes 4-(2 hydroxyethyl)-1-piperazine ethanesulphonic acid - AFB₁ aflatoxin B₁ - PMSF phenylmethylsulfonylfluoride - TLCK N--p-tosyl-L-lysine chloromethyl ketone - PC phosphatidycholine - PS phosphatidylserine - PI phosphatidyl inositol - DPG diphosphatidyl glycerol - SDS sodium dodecyl sulphate - Tris-HCl Tris (hydroxymethyl)aminomethane hydrochloride     

Abundance of 24-methylenecholesterol in traditional African rice as an indicator of resistance to the African rice gall midge, Orseolia oryzivora Harris & Gagné

Rice production is of great importance to food security in Nigeria. The African rice gall midge (AfRGM), Orseolia oryzivora Harris & Gagné, is a major pest of lowland rice in Nigeria and many other Africa countries. Current management efforts are directed at integrating host plant resistance with biological agents. The type and abundance of some phytochemicals are known to affect resistance in host plants, so in this study we measured rice culm hardness, rice culm stickiness and the type and quantity of phytosterols in rice cultivars, and investigated the effects of these factors on resistance to the AfRGM. The study was conducted at 24 ± 2°C, 60 ± 5% relative humidity, and a 12 h light : 12 h dark photoperiod. Three rice cultivars were studied: one Oryza glaberimma cultivar, Tog 7442 (resistant), and two O. sativa cultivars, Cisadane (tolerant) and ITA 306 (susceptible). We found no significant differences in culm hardness and stickiness among the cultivars tested. Using gas chromatography (flame ionization detection) analysis, we identified four major phytosterols: campesterol, 24‐methylenecholesterol, stigmasterol and β‐sitosterol. 24‐Methylenecholesterol was the most abundant sterol in the resistant O. glaberimma cultivar (79.20 μg), whereas β‐sitosterol was most abundant in the two susceptible O. sativa cultivars (Cisadane, 71.27 μg; ITA 306, 66.37 μg). The comparatively high concentration of 24‐methylenecholesterol in this cultivar of O. glaberimma may be an indicator of resistance to AfRGM.     

Sandhoff disease in Cyprus: population screening by biochemical and DNA analysis indicates a high frequency of carriers in the Maronite community

In the last 15 years, four patients with the infantile form of Sandhoff disease were diagnosed in four different families in Cyprus (population 703,000, birth rate 1.7%). Three of these cases came from the Christian Maronite community (less than 1% of the population) and one from the Greek community (84% of the population). This relatively large number of patients prompted us to initiate an epidemiological study in order to establish the frequency of the mutant allele in Cyprus. Carrier detection was initially based on the measurement of beta-hexosaminidase A and B in both leucocytes and serum. Using the enzyme test, 35 carriers were identified among 244 random Maronite samples and 15 among 28 Maronites with a family history of Sandhoff disease, but only one carrier was found out of 115 random samples from the Greek community. In parallel to the biochemical screening, DNA studies were undertaken in one of the three Maronite patients and in a Greek carrier related to the Greek patient. These studies resulted in the identification of two novel mutations, a deletion of A at nt76 and a G to C transversion at position 5 of the 5'-splice site of intron 8, which have been published. We subsequently screened the carriers detected in the biochemical study for these two mutations using PCR-based tests. Of 50 Maronite carriers examined, 42 were found to have the nt76 deletion. Eight Maronite samples, designated carriers from the biochemical results, were negative for both mutations. It is possible that these individuals were incorrectly classified as carriers since their enzyme values are equivocal, although the presence of another mutation has not been excluded. Two Greek Cypriot carriers and two obligate Lebanese carriers were negative for both mutations. We conclude that there is a high frequency of Sandhoff disease carriers in the Maronite community of Cyprus, approximately 1 in 7, and that a single mutation predominates in this population.     

Phytosterols and triterpenes from Morinda lucida Benth (Rubiaceae) as potential inhibitors of anti-apoptotic BCL-XL,BCL-2, and MCL-1: an in-silico study

Deregulation of the normal cellular apoptotic function is a fundamental element in the etiology of most cancers and the anti-apoptotic B cell lymphoma 2 (BCL?2) protein family is known to play crucial role in the regulation of this function. Overexpression of this protein family has been implicated in some cancers, such that agents that could inhibit their over-activity are now being explored for anticancer drug development. A number of studies have revealed the anticancer potential of Morinda lucida-derived extracts and compounds. In search of more inhibitors of this anti-apoptotic protein family from plant resources, 47 compounds, identified in Morinda lucida Benth (Rubiaceae) were screened for their inhibitory activities against BCL-XL, BCL-2, and MCL-1 by molecular docking using BINDSURF, while binding interactions of the top compounds were viewed with PyMOL. Druglikeness and Absorption–Distribution–Metabolism–Excretion (ADME) parameters of the top 6 compounds from docking study were evaluated using SuperPred webserver. Results revealed that out of the 47 compounds, 2 triterpenes (ursolic acid and oleanolic acid) and 4 phytosterols (cycloartenol, campesterol, stigmasterol, and β-sitosterol) have higher binding affinities for the selected BCL-2 proteins, compared to known standard inhibitors; these compounds also fulfill oral drugability of Lipinski rule of five. Therefore, since these Morinda lucida-derived phytosterols and triterpenes show high binding affinity toward the selected anti-apoptotic proteins and exhibited good drugability characteristics, they qualify for further study on drug development against cancers characterized by overexpression of this family of protein.     

Domestic ships as a potential pathway of nonindigenous species from the Saint Lawrence River to the Great Lakes

Ballast water moved by transoceanic vessels has been recognized globally as a predominant vector for the introduction of aquatic nonindigenous species (NIS). In contrast, domestic ships operating within confined geographic areas have been viewed as low risk for invasions, and are exempt from regulation in consequence. We examined if the St. Lawrence River could serve as a source of NIS for the Laurentian Great Lakes by surveying ballast water carried by domestic vessels and comparing biological composition in predominant St. Lawrence River—Great Lakes port-pairs in order to determine the likelihood that NIS could be transported to, and survive in, the Great Lakes. Thirteen potential invaders were sampled from ballast water, while 26 taxa sampled from St. Lawrence River ports are not reported from the Great Lakes. The majority of NIS recorded in samples are marine species with low potential for survival in the Great Lakes, however two euryhaline species (copepod Oithona similis, and amphipod Gammarus palustris) and two taxa reported from brackish waters (copepod Microsetella norvegica and decapod Cancer irroratus) may pose a risk for invasion. In addition, four marine NIS were collected in freshwater samples indicating that at least a subset of marine species have potential as new invaders to the Great Lakes. Based on results from this study, the ports of Montreal, Sorel, Tracy and Trois Rivières appear to pose the highest risk for new ballast-mediated NIS from the St. Lawrence River to the Great Lakes.     

The effect of methods of application of sawdust on plant growth,plant nutrient uptake and soil chemical properties

Summary Sawdust fromCanarium schweinfurthii (Engl.), a common source of timber in the rainforest zone of Nigeria was subjected to various treatments to improve the nutrient content and aid the decomposition of the otherwise highly-lignified material. The treatments were then either incorporated into the soil or added to the soil surface as a mulch in both greenhouse and field studies. The greenhouse studies involved two six-week sowings in the same soil while the field study involved 3 season sowings (2 rainly, one dry season) using maize (Zea mays L.var. Western yellow) as a test crop.Results indicated that in the greenhouse, incorporation of untreated sawdust led to significant reductions in maize growth, dry matter yield and uptake of N and other nutrients. While the incorporated inorganically amended sawdust treatment produced significantly higher dry matter yield, that produced by the surface-applied organically amended treatment was significantly higher than the incorporated treatment. Except for untreated sawdust, the incorporation of organically and inorganically amended sawdust increased the contents insoil of N, available P, and exchangeable K.