CD Analysis Research Articles

Synthesis and FTIR Analysis of Cd Doped Nano Ni - Aluminates

Nano Ni – Aluminates (Ni0.5 Fe0.5 Al2O4) and Cd Doped Nano Ni – Aluminates (Ni0.5 Fe0.5 Al2-x CdxO4) where x = 0.2, 0.4, 0.6 and 0.8 were synthesized by co-precipitation method. Ammonium hydroxide was used as precipitating agent. The samples were characterized using Fourier transform infrared spectroscopy. FTIR spectrum for each unannealed sample of Ni0.5 Fe0.5 Al2 O4 and Ni0.5 Fe0.5 Al2-x Cdx O4 exhibit a broad band near 3450 cm-1 due to –OH stretching vibration of free hydrogen bonded hydroxyl group and a second typical absorption band at 1620 cm-1 resulting from deformative vibration of water molecules. Spectra for samples after annealing show peaks in the range of 900-450 cm-1 and 850-500 cm-1 showing presence of Al-O and Ni-O bonds respectively thus confirm the formation of metal oxides bonds while no peak was observed for –OH bond. A peak around 420 cm-1 is assigned to Cd-O bond.

Unveiling the Ghrelin and Obestatin Roles in Inflammatory Bowel Diseases: A Systematic Review and Meta-Analysis Assessing Their Pathogenic Implications and Biomarker Utility.

Inflammatory bowel disease (IBD), pathologically known as chronic inflammation of the gastrointestinal tract, is among the diseases with a high burden worldwide. Ghrelin and obestatin, as adipocytokines mainly in adipose tissues, are involved in immune responses and inflammatory pathways. Studies have assessed the circulatory ghrelin levels in patients with IBD. Herein, we aim to pool these studies through systematic review and meta-analysis. Four international databases, PubMed, Embase, Scopus, and the Web of Science were systematically searched for studies assessing ghrelin or obestatin levels in patients with IBD (either Crohn's disease [CD] or ulcerative colitis [UC]) in active phase or in remission. Random-effects meta-analysis was conducted in order to calculate the pooled estimate using the standardized mean difference (SMD) and 95% confidence interval (CI). Nineteen studies were included in our systematic review, comprising 1064 patients with IBD (476 UC and 588 CD). A meta-analysis of 11 studies for comparison of active and quiescent disease showed that patients with active IBD had significantly higher levels of ghrelin (SMD, 0.70; 95% CI, 0.06 to 1.34; P = .03). However, in separate analyses for UC or CD, no such difference was observed (SMD, 1.30; 95% CI, -0.28 to 2.88, P = .11; and SMD, 0.80; 95% CI, -0.41 to 2.01; P = .20, respectively). No significant difference was also observed in ghrelin levels between patients with active IBD and healthy control subjects. Obestatin levels also were not different between patients with active disease and those in remission (SMD, 0.31; 95% CI, -0.05 to 0.68; P = .09). On the other hand, the obestatin/ghrelin ratio was significantly lower in patients with active IBD (SMD, -1.90; 95% CI, -2.45 to -1.35; P < .01). Our results demonstrate that IBD patients with active disease have higher levels of ghrelin, which needs to be confirmed in future studies. Also, the obestatin/ghrelin ratio might be a promising biomarker for the assessment of disease activity.

The unusual properties of lactoferrin during its nascent phase

Lactoferrin, a multifunctional iron-binding protein containing 16 disulfides, is actively studied for its antibacterial and anti-carcinogenic properties. However, scarce information is nowadays available about its oxidative folding starting from the reduced and unfolded status. This study discovers unusual properties when this protein is examined in its reduced molten globule-like conformation. Using kinetic, CD and fluorescence analyses together with mass spectrometry, we found that a few cysteines display astonishing hyper-reactivity toward different thiol reagents. In details, four cysteines (i.e. 668, 64, 512 and 424) display thousands of times higher reactivity toward GSSG but normal against other natural disulfides. The formation of these four mixed-disulfides with glutathione probably represents the first step of its folding in vivo. A widespread low pKa decreases the reactivity of other 14 cysteines toward GSSG limiting their involvement in the early phase of the oxidative folding. The origin of this hyper-reactivity was due to transient lactoferrin-GSSG complex, as supported by fluorescence experiments. Lactoferrin represents another disulfide containing protein in addition to albumin, lysozyme, ribonuclease, chymotrypsinogen, and trypsinogen which shows cysteines with an extraordinary and specific hyper-reactivity toward GSSG confirming the discovery of a fascinating new feature of proteins in their nascent phase.

Study of content and bioconcentration of heavy metal (Pb,Hg, and Cd) in green mussels (Perna viridis) based on different sizes and ages

Green mussel (Perna viridis) has filter-feeding habits and a sessile way of life, with the main food components of plankton and organic matter in the waters. These food components can contaminate green mussels when it accumulates heavy metals. Therefore, this study aims to evaluate heavy metals content and the bioconcentration of lead (Pb), mercury (Hg), and cadmium (Cd) in green mussels based on different sizes and ages. The study was conducted on Pasaran Island, Lampung, Indonesia, and used green mussels aged 3, 5, 7 to 9 months as samples, with 2 replications. The AAS (Atomic Absorption Spectrophotometry) method was used in the analysis of Pb, Hg, and Cd, sampling technique used purposive sampling. The result showed that green mussels at different ages and sizes has impact on Pb content, while an increase of one unit of age and size of green mussels has no effect on the metal content of Hg and Cd. Furthermore, the highest bioconcentration of Pb and Hg was obtained at 9 months, while Cd was observed at 3 months. Based on the results of this study it can be concluded that the simple linear regression appropriate a functional relationship between Pb and the different ages and sizes green mussels cultivated on Pasaran Island , while heavy metals Hg and Cd appropriate with a polynomial quadratic approach and almost do not exist in the form of a functional relationship between Hg and Cd with the different ages and sizes green mussels. Even though it contains heavy metals in below the maximum limit, but care needs to be taken in addressing this phenomenon due to its nature heavy metals that can accumulate in living tissue, thus consuming green mussels containing heavy metals even in relatively small amounts is not recommended.Keywords:Filter feederSessileAccumulateOrganic matterContaminate

Monitoring cadmium concentrations in cacao: inter-laboratory variation and the effect of sample size on variability among ready-for-sale beans

Since the implementation of new EU limits on cadmium (Cd) in cacao-derived products, reliable measurements of the Cd concentration in cacao samples have become even more important. This study was set up to analyse the robustness of the measured Cd concentrations in cacao as affected by sampling strategy and by the laboratory receiving these samples. Six different homogenised cacao liquor samples were sent to 25 laboratories, mainly located in Latin America. On average, only 76% of the laboratories reported acceptable results per sample using internationally accepted criteria. More unreliable data was obtained when Atomic Absorption Spectroscopy (AAS) rather than Inductively Coupled Plasma (ICP) instruments were used or where concentrations were outside the calibration range. Subsequently, four commercial lots in Ecuadorian warehouses were sampled to identify the variation among beans, bags and replicate chemical analyses of ground samples. Simulations indicate that a composite sample should be made from at least 10 bags on a pallet and at least 60 beans should be ground prior to analysis to obtain an acceptable CV below 15%. This study shows that current Cd analyses in cacao on the market are neither sufficiently accurate nor precise and that more control on laboratory certifications is needed for reliable screening of Cd in cacao.

Synthesis, X-ray Structure and Hirshfeld Surface Analysis of Zn(II) and Cd(II) Complexes with s-Triazine Hydrazone Ligand

The two group IIB complexes [Cd(DMPT)Cl2] (6) and [Zn(DMPT)Cl2] (7) of the tridentate ligand (DMPT), 2,4-bis(morpholin-4-yl)-6-[(E)-2-[1-(pyridin-2-yl) ethylidene]hydrazin-1-yl]-1,3,5-triazine were synthesized, and their structural aspects were elucidated with the aid of X-ray crystallography. Both complexes crystallized in the monoclinic crystal system, with P21/n as a space group. The unit cell parameters for 6 are a = 14.1563(9) Å, b = 9.4389(6) Å, c = 16.5381(11) Å and β = 91.589(5)° while the respective values for 7 are 11.3735(14), 13.8707(13), 14.9956(16), and 111.646(2)°. The unit cell volume is slightly less (2198.9(4) Å3) in complex 7 compared to complex 6 (2209.0(2) Å3). Both complexes have a penta-coordination environment around the metal ion, where the DMPT ligand acts as a neutral tridentate NNN-chelate via the pyridine, hydrazone, and one of the s-triazine N-atoms. The penta-coordination environment of the Cd(II) in complex 6 is close to a square pyramidal configuration with some distortion. On the other hand, the ZnN3Cl2 coordination environment is highly distorted and located intermediately between the trigonal bipyramidal and square pyramids. Supramolecular structure analysis of 6 with the aid of Hirshfeld calculations indicated the importance of the Cl…H, O…H, and C…H interactions. Their percentages were calculated to be 20.9, 9.1, and 8.7%, respectively. For 7, the Cl…H, O…H, C…H, and N…H contacts are the most important. Their percentages are 20.3, 9.0, 7.0, and 8.4%, respectively. In both complexes, the major intermolecular interaction is the hydrogen–hydrogen interactions which contributed 45.5 and 46.6%, respectively.

Exploring thyroxine binding globulin structural changes and its release from human hepatoblastoma cells upon interaction with silica particles: A prelude to unrevealing the mechanism of thyroid hormone dysregulation

Endocrine dysregulation in the presence of environmental chemical risk factors is a global adverse health concern. The aim of this investigation was to explore the structural changes and binding affinity of thyroxine (T4) binding protein (TBG) upon interaction with SiO2 particles as the second largest mineral in the Earth's crust and one of the most important constituents of rock, soil, and dust. Therefore, the interaction of TBG with SiO2 particles was assessed by fluorescence quenching, molecular docking, ANS and synchronous fluorescence, and far-UV CD analyses. Also, the release of TBG from human hepatoblastoma cell line, Hep G2, was assessed by ELISA assay. The results displayed that the value of stoichiometry of binding site (n) of TBG for T4 was approximately equal to one, which was reduced to 0.36 in the presence of SiO2 particles. Also, the binding affinity (Kb) values revealed that the binding affinity between T4 and TBG was strong (97.90 × 105 L/mol), while the presence of SiO2 particles resulted in the calculation of a Kb around 0.00159 × 105 L/mol, which was significantly lower than that of the absence of SiO2 particles. This data was also verified by molecular docking analyses which indicated that SiO2 particles interacted with the T4 binding pocket of TBG. Moreover, further studies exhibited that although the equimolar concentration of T4 to TBG resulted in the superior stability of TBG-T4 complex relative to free TBG, the presence of SiO2 particles with the same concentration led to denaturation of the secondary structure of TBG. Furthermore, it was seen that the amount of released TBG in the cell culture medium of Hep G2 was about 2.21 ng/mL protein, whereas this amount in SiO2 particles-treated cell group was significantly reduced to 1.71 ng/mL protein (*P < 0.05). In conclusion, this study implies that SiO2 particles show the potential to result in inhibition of TBG release, TBG denaturation, and interfere with TBG binding affinity which may lead to dysregulation of the thyroid hormone transport and associated signaling pathways.

Effect of ultrasonic processing on the properties of polyphenol oxidase from potato (Solanum tuberosum L.)

In present work, the effects of ultrasound on activity and conformation of polyphenol oxidase (PPO) from potato were investigated under different ultrasonic gradient for ultrasonic power (240-600 W), time (15-120 min), temperature (20-50℃) and pH (5.4-8.2). The results indicated that potato PPO exhibited a decrease in activity treated by different ultrasonic treatment conditions. Furthermore, the ultrasound significantly down-regulated the expression of PPO gene. The CD analysis demonstrated that the secondary structures such as α-helix were destroyed compared with the pristine PPO. The PPO activity showed a corresponding decrease along with the changes in the secondary structure. This investigation revealed that ultrasound inactivate PPO activity by changing the conformation of enzyme protein and down-regulating gene expression.

Synthesis, Biological Activity, and the Effect of Ionization Radiation on the Spectral, XRD, and TGA Analysis of Cu(I), Cu(II), Zn(II), and Cd(II) Complexes

New complexes of molecular formulae of [Cu(H2L1)I] (B1), [Cu(H2L)2(ClO4)2](B2), [Zn (H2L)2(H2O)]SO4(B3) and [Cd(H2L)Cl]Cl(B4) of ligand N-phenyl-2-(p-tolylglycyl)hydrazine -1-carbothioamide (B) have been prepared and characterized by 1H-NMR, Mass spectra, FT-IR, elemental analyses, molar conductance, UV–visible spectra, magnetic susceptibility measurements, thermogravimetric analysis (TGA/DTG) and X-ray powder diffraction before and after irradiation. Elemental analyses indicate that the metal complexes have 1:1 (metal/ ligand) (B1 and B4) or 1:2 stoichiometry for complexes (B2 and B3). The results confirmed that gamma ray enhanced the stability of irradiated compounds as compared to non-irradiated compounds. XRD patterns proved that increasing the crystallinity of the samples and the particles is in nanosize range before and after gamma irradiation. These studies revealed that Cu(II) and Zn(II) complexes adopted octahedral geometry, and Cu(I) and Cd(II) complexes were found to be tetrahedral. The theoretical conformational structure analyses were performed using density functional theory for ligand and complexes at B3LYP functional with 6–31G basis set for ligand and LANL2DZ basis set for complexes. The ligand (B, A) and complexes (B1–B4) and (A1–A4) before and after irradiated have been tested for their inhibitory effect on the growth of bacteria against gram-positive (Streptococcus pyogenes) and gram-negative (Escherichia coli). Molecular docking investigation proved that the Zn(II) complex had interesting interactions with active site amino acids of topoisomerase II DNA gyrase enzymes (code: 2XCT).

Comparison Results of the Two Different Enrichment Factor Analysis Methods of Heavy Metals in the West Banjir Kanal River Sediment, Central Java

The West Banjir Kanal (WBK) River in Semarang City is a river that plays an important role in supporting the various needs of the people of Semarang City. Land use around the river and utilization of WBK river water, cause river water to be contaminated with heavy metals, which have the potential to accumulate in sediments. This study was conducted to analyze and compare the results of the analysis of metal enrichment factors Cd, Cr, Cu, Pb, and Zn in the sediments of the WBK river, Semarang, with 2 different methods. The study was conducted at 7 sampling stations, representing estuaries, middle, and upper reaches of rivers. Sediment was collected with Van Veen Grab, then prepared with wet digestion, then analyzed the metal concentration with AAS. The results showed that the concentration of metals in the sediment at the studied station was still within the limits of natural concentration. The enrichment factor of the metals Cd and Zn is smaller than 1, however, for other metals (Cr, Cu, and Pb) some have exceeded 1. The test results of the comparison of Cr, Cu, and Pb metal enrichment factors in sediments differed markedly for the 2 different methods. But on metals Cd and Zn can not be compared, because the variety of data is 0.

Stem Cell Bioengineering with Bioportides: Inhibition of Planarian Head Regeneration with Peptide Mimetics of Eyes Absent Proteins.

Djeya1 (RKLAFRYRRIKELYNSYR) is a very effective cell penetrating peptide (CPP) that mimics the α5 helix of the highly conserved Eya domain (ED) of eyes absent (Eya) proteins. The objective of this study was to bioengineer analogues of Djeya1 that, following effective translocation into planarian tissues, would reduce the ability of neoblasts (totipotent stem cells) and their progeny to regenerate the anterior pole in decapitated S. mediterranea. As a strategy to increase the propensity for helix formation, molecular bioengineering of Djeya1 was achieved by the mono-substitution of the helicogenic aminoisobutyric acid (Aib) at three species-variable sites: 10, 13, and 16. CD analyses indicated that Djeya1 is highly helical, and that Aib-substitution had subtle influences upon the secondary structures of bioengineered analogues. Aib-substituted Djeya1 analogues are highly efficient CPPs, devoid of influence upon cell viability or proliferation. All three peptides increase the migration of PC-3 cells, a prostate cancer line that expresses high concentrations of Eya. Two peptides, [Aib13]Djeya1 and [Aib16]Djeya1, are bioportides which delay planarian head regeneration. As neoblasts are the only cell population capable of division in planaria, these data indicate that bioportide technologies could be utilised to directly manipulate other stem cells in situ, thus negating any requirement for genetic manipulation.

Use of the gonadal tissue of the sea urchin Paracentrotus lividus as a target for environmental contamination by trace metals

Many environmental monitoring works have been carried out using biomarkers as a tool to identify the effects of oil contamination on marine organisms; however, only a few studies have used sea urchin gonadal tissue for this purpose. Within this context, the present work aimed to understand the impact of an oil spill, proposing the use of sea urchin gonadal tissue as a biomarker for environmental contamination by trace metals in the species Paracentrotus lividus. Biometric analysis, quantification analyses of the elements Cd, Pb, Ni, Fe, Mn, Zn, and Cu, as well as histopathological evaluations were performed in gonads of P. lividus collected from an area affected by hydrocarbons, named as impacted shore (IS) and an area not affected, named reference shore (RS). The results showed that carapace diameter (DC), total wet weight (WW), and Cd concentrations in the gonads were significantly influenced by the interaction between the rocky shores of origin, the months of sampling, and by the sex of the individuals. Moreover, from July until September, the levels of Zn and Cd were significantly lower in male than in female gonads. In July (the month of the oil spill), the indexes of histopathological alterations (IHPA) of membrane dilation were significantly higher in individuals from the IS, compared to the individuals from the RS. In addition, there were significant correlations between biometric variables (wet weight, diameter of carapace, gonadal weight, and gonadosomatic index) and the elements Cd, Cu, Ni, and Mn concentrations. Lastly, a delay in the gametogenic cycle of the sea urchins from IS was also observed. Taken together, these findings suggest that direct exposure to trace metals induces histopathological lesions in P. lividus’ gonads and affects its reproductive cycle.Graphical

Human Health Risk Assessment due to the Incidence of Heavy Metals in Different Commercial Feeds Used for the Culturing of Biofloc Fish (Nile tilapia: Oreochromis niloticus).

Fish meat is a major and rich source of white protein; its quality is determined by the fish feed. However, the low-quality feed may contribute to a source of contamination if it does not fulfill the standard protocol. Biofloc is considered one of the most efficient, successful aquacultures, but this system is still under investigation for its efficiency and safety. Thus, current study focused on the heavy metal contamination in biofloc fish fed on different commercial feeds and human health risk analysis. Samples of extensively used three feeds (Supreme™, Hitech™, and MH-Aqua™), tanks water, and biofloc fish (gills, liver muscle) were collected for heavy metals (Cu, Cd, Pb, and Cr) analysis using atomic absorption spectrometry. An experiment was designed by dividing the fish into three groups: group 1 (Supreme™), group 2 (Hitech™), and group 3 (MH-Aqua™). A bioaccumulation factor and human health risk assessment have been calculated to measure fish and human health. Results revealed that most of the heavy metal concentration was higher (P < 0.05) in MH-Aqua™ feed compared to others. Similarly, heavy metal concentration was higher (P < 0.05) in the water of group 3, where fish was cultured on MH-Aqua™ feed. However, in the fish gills, liver, and muscle, the heavy metal concentration was significantly greater in group 3 fed on MH-Aqua™ feed, followed by group 1. Heavy metals in all feeds were positively correlated to the heavy metal concentration of the fish muscles. The bioaccumulation factor for Cu and Pb was higher in the fish liver, Cd and Cr in the case of fish gills, and least in the fish muscle. EDI and THQ values vary in all the groups, while the HI value was found lower than 1 in group 1 and group 2 but higher in group 3 fed on MH-Aqua™ feed. Strict checks and balances in formulating a diet will be helpful to progressively lower the amount of dangerous heavy metals.

Biochemical characterization, and anti-inflammatory and antitumor activities of glycoprotein from lamb abomasum.

Lamb abomasum is used as an edible medicinal source in traditional Chinese medicine for the treatment of gastrointestinal disorders. Lamb abomasum sourced biochemical drug Lamb's trip extract and Vitamin B12 capsule used for the clinical treatment of chronic gastritis, gastric ulcer, and reversal of intestinal metaplasia. Therefore, claimed to have prevention of gastric cancer activity. In this study, we aim to assess whether the glycoprotein has biological activity in the cure of gastric disorder and conduct a structure-activity relationship. Glycoproteins' extraction conditions were optimized by the response surface method and purified with DEAE-cellulose and Sephadex G-50 chromatography. Two homogenous glycoproteins' physiochemical structures were studied with electrophoresis, HPLC analysis, peroxide oxidation, and β-elimination, FT-IR, CD, LC-MS/MS, and EDS analysis. The antiinflammation activity of the glycoprotein was determined against COX-2 and LOX-15 enzyme inhibitory ability in vitro, and antitumor activity against HT-29 and HGC-25, and cytotoxicity on L-02cells was determined in vivo with the MTT method. The abomasum was abundant in glycoprotein and the extraction yield of glycoprotein was up to 24.6±2.1% under optimized conditions. Two homogeneous glycoproteins SAGP-I and SAGP-II determined to be ribose-conjugated and sulfated glycoproteins with a molecular weight of 15.6kDa and 6.4kDa. And according to the structural analysis, SAGP-I was a mucin-type ribose-conjugated glycoprotein with 14 O-glycosylation and one N- glycosylation site. SAGP-I and SAGP-II have remarkable anti-inflammatory activity against COX-2 enzyme with the IC50 of 17.64±1.25μg/mL and 16.14±1.11μg/mL, respectively. Meanwhile, the two glycoproteins showed strong antitumor activity against HT-29 with the EC50 of 19.19±1.46μg/mL and 184.9±5.6μg/mL, respectively. The Highly purified glycoprotein SAGP-1 and SAGP-II showed anti-inflammatory activity against the COX-2 enzyme, and antitumor activity against HT-29 human colon cancer cells and noun-inhibitory activity against LOX-15 enzyme and HGC-25. Both glycoproteins are ribose conjugated and sulfated whose characters are related to their anti-inflammatory and anti-tumor activity. Such results suggest the possibility of anti-inflammatory and pre-cancer activity. And in some degree explains the pharmacy of abomasum's traditional use in gastric disorder and clinical use of lamb abomasum APIs drugs' in gastric disorders and gastric cancer development. This study provides a preliminary basis for the further study of the per-cancer mechanism of lamb abomasum glycoprotein. And, would be the material basis of the clinical use of Lamb's trip extract and Vitamin B12 capsule.

Potential health risk of heavy metals in some selected vegetable crops at an artisanal gold mining site: A case study at Moseaso in the Wassa Amenfi West District of Ghana

Activities of artisanal mining pose ecological as well as health challenges through the release of heavy metals into the environment. This study assessed the potential risk of heavy metals in some selected vegetables at an artisanal gold mining site at Moseaso in the Wassa-Amenfi West District of Ghana. A total of 40 soil samples were collected from the study area at depth of 20 cm using a soil auger. At each site two each of the selected vegetables (tomatoes, spring onion, and lettuce) were sampled from the farms. Also, 9 water samples were also taken at sections of the stream (upstream, midstream, and downstream) for the analysis of As, Cd, Pb, and Hg using Atomic Absorption Spectroscopy. The results of the study revealed that the mean concentration of As (22.92 mg/kg), Cd (5.41 mg/kg), Pb (98.01 mg/kg), and Hg (0.81 mg/kg) in soils from the artisanal gold mining sites were all above the stipulated limits. The mean values of As, Cd, Pb, and Hg in the stream water were beyond the stipulated limit of 0.01, 0.03, 0.01, and 0.03 mg/l, respectively. Also, all the examined heavy metals in the selected food crops were above the reference limit. The bioaccumulation factor in the food crops was less than 1 except for cadmium which had a BF>1 in tomatoes, spring onion, and lettuce. The cancer risk assessment also revealed that, with the exception of Pb, all the heavy metals considered were above the USEPA-safe prescriptions of 1.0 × 10−6 to 1.0 × 10−4 for both adults and children. Based on the results, it can be recommended that the dietary intake of vegetables grown from the study site is not safe and poses severe health and environmental threats.

Improvement approach for determination of cadmium at trace levels in soils by handheld X-ray fluorescence analyzers

Determining trace levels of cadmium in soils by the handheld X-ray fluorescence analyzer is severely hampered by the spectrum baseline. To improve the peak-to-background ratio of the characteristic Cd-Kα X-ray, the filter structure, material, and thickness were optimized; to find the most informative variables for the PLS analysis of trace Cd, the related information enhancement competitive adaptive reweighted sampling (rieCARS) was proposed as a variable selection approach, which contains correlated spectral selection (CSS), double logarithmic processing(DLP), competitive adaptive reweighted sampling (CARS). To eliminate the interference of the K-series line of the Ag anode target on trace Cd, the X-ray tube was used with the Tungsten anode target. One combined filter containing a 0.4 mm thickness Cu and a 0.5 mm thickness Fe was selected, which was placed between the X-ray tube and the sample. The instrumental limit of detection for the Cd descended from 32 mg/kg to 0.02 mg/kg . Sixty-four soil samples were used to establish the model for the filtered signal. The model was compared with PLS, CARS+PLS, DLP + CARS+PLS, CSS + PLS, and CSS + CARS+PLS. The application of rieCARS improved the performance of the calibration model for trace Cd. The coefficient of determination R2 of the rieCARS+PLS model on the calibration set was 0.990; the RMSEP on the test set was 0.28 mg/kg; the average of the relative error in the Poyang Lake soil samples was 0.18; the relative standard deviation for the thirteen replicates of the GSD17 was 0.07. The developed analytical procedure will lay the foundation for the analysis of heavy metal pollution sources in soils and ecological sustainability assessment.

Three new sesquiterpenes from roots of Curcuma longa

ObjectiveTo study the chemical constituents from the roots of Curcuma longa. MethodsThe structures of the compounds were elucidated based on extensive spectral analysis, including 1D and 2D NMR, MS, UV, and CD analysis. ResultsTwo new sesquiterpene compounds (1S,2R,5R,7S,8R)-2,8-epoxy-5-hydroxybisabola-3,10-dioen-9-one (1), (1R,2R,5R,7S,8R)-2,8-epoxy-5-hydroxybisabola-3,10-dioen-9-one (2), and a new natural product 6-(4-Hydroxymethylphenyl)-2-methyl-hept-2-ene-4-one (3) together with three known compounds ar-turmerone (4), 2-methyl-6-(4-hydroxyphenyl-3-methyl)-2-hepten-4-one (5) and 2-methyl-6-(4-hydroxyphenyl)-2-hepten-4-one (6) were isolated from C. longa root extract with 95% ethanol. ConclusionIn the study, three new compounds were isolated from C. longa, and their absolute configurations were determined.

Heavy Metal Concentrations in Imported Frozen European Hake Merluccius merluccius (Linnaeus 1758)

This research looked at the concentration levels of some heavy metals in tissues and organs of imported frozen European hake Merluccius merluccius (Linnaeus, 1758). This to ascertain the safety of the fish for consumption and whether long time freezing could bio concentrate heavy metals in the fish. Fish were procured from the market, muscles, gills and liver removed, digested for analysis of Cu, Zn, Mn, Fe, Cd, and Pb using AAS. Fe was the most accumulated metal with 4.393±0.19 mg/kg, Cadmium (Cd) was the least with 0.004±0.00 mg/kg (Fe&gt;Zn&gt;Cu&gt;Pb&gt;Cd&gt;Mn). Muscle accumulated the most metals. Concentrations of the metals were below maximum limit recommended by Food and Agricultural Organization/World Health Organization (FAO/WHO), which shows the fish is safe for consumption. It also showed that long time freezing does not bio concentrate heavy metals in the fish about a month of freezing. It is recommended that regulatory authorities should always conduct an assessment of the heavy metals in imported frozen marine fishes before it is cleared for human consumption. This will guide against any adverse health risk associated with consumption of fish with high levels of heavy metals.

Conformational analysis and interaction of the Staphylococcus aureus transmembrane peptidase AgrB with its AgrD propeptide substrate.

Virulence gene expression in the human pathogen, S. aureus is regulated by the agr (accessory gene regulator) quorum sensing (QS) system which is conserved in diverse Gram-positive bacteria. The agr QS signal molecule is an autoinducing peptide (AIP) generated via the initial processing of the AgrD pro-peptide by the transmembrane peptidase AgrB. Since structural information for AgrB and AgrBD interactions are lacking, we used homology modelling and molecular dynamics (MD) annealing to characterise the conformations of AgrB and AgrD in model membranes and in solution. These revealed a six helical transmembrane domain (6TMD) topology for AgrB. In solution, AgrD behaves as a disordered peptide, which binds N-terminally to membranes in the absence and in the presence of AgrB. In silico, membrane complexes of AgrD and dimeric AgrB show non-equivalent AgrB monomers responsible for initial binding and for processing, respectively. By exploiting split luciferase assays in Staphylococcus aureus, we provide experimental evidence that AgrB interacts directly with itself and with AgrD. We confirmed the in vitro formation of an AgrBD complex and AIP production after Western blotting using either membranes from Escherichia coli expressing AgrB or with purified AgrB and T7-tagged AgrD. AgrB and AgrD formed stable complexes in detergent micelles revealed using synchrotron radiation CD (SRCD) and Landau analysis consistent with the enhanced thermal stability of AgrB in the presence of AgrD. Conformational alteration of AgrB following provision of AgrD was observed by small angle X-ray scattering from proteodetergent micelles. An atomistic description of AgrB and AgrD has been obtained together with confirmation of the AgrB 6TMD membrane topology and existence of AgrBD molecular complexes in vitro and in vivo.

Rapid and Portable Detection of Hg and Cd in Grain Samples Based on Novel Catalytic Pyrolysis Composite Trap Coupled with Miniature Atomic Absorption Spectrometry.

As toxic metals, Hg and Cd are a concern for food safety and human health; their rapid and portable analysis is still a challenge. A portable and rapid Hg-Cd analyzer constructed from a metal-ceramic heater (MCH)-based electrothermal vaporizer (ETV), an on-line catalytic pyrolysis furnace (CPF), a composite Pt/Ni trap, and a homemade miniature atomic absorption spectrometer (AAS) was proposed for grain analysis in this work. To enhance sensitivity, a new folded light path was designed for simultaneous Hg and Cd analysis using charge coupled device (CCD) in AAS. To eliminate the grain matrix interference, a catalytic pyrolysis furnace with aluminum oxide fillers was utilized to couple with a composite Pt/Ni trap. The method limits of detection (LODs) were 1.1 μg/kg and 0.3 μg/kg for Hg and Cd using a 20 mg grain sample, fulfilling the real sample analysis to monitor the grain contamination quickly; linearity R2 > 0.995 was reached only using standard solution calibration, indicating the sample was free of grain matrix interference. The favorable analytical accuracy and precision were validated by analyzing real and certified reference material (CRM) grains with recoveries of 97-103% and 96-111% for Hg and Cd, respectively. The total analysis time was less than 5 min without sample digestion or use of any chemicals, and the instrumental size and power consumption were <14 kg and 270 W, respectively. Compared with other rapid methods, this newly designed Hg-Cd analyzer is proven to be simple, portable, and robust and is, thus, suitable to quickly monitor Hg and Cd contamination in the field to protect grain and food safety.