Search

The Human papillomavirus (HPV) causes tumors in part by hijacking the host cell cycle and forcing uncontrolled cellular division. While there are >200 genotypes of HPV, 15 are classified as high-risk and have been shown to transform infected cells and contribute to tumor formation. The remaining low-risk genotypes are not considered oncogenic and result in benign skin lesions. In high-risk HPV, the oncoprotein E7 contributes to the dysregulation of cell cycle regulatory mechanisms. High-risk E7 is phosphorylated in cells at two conserved serine residues by Casein Kinase 2 (CK2) and this phosphorylation event increases binding affinity for cellular proteins such as the tumor suppressor retinoblastoma (pRb). While low-risk E7 possesses similar serine residues, it is phosphorylated to a lesser degree in cells and has decreased binding capabilities. When E7 binding affinity is decreased, it is less able to facilitate complex interactions between proteins and therefore has less capability to dysregulate the cell cycle. By comparing E7 protein sequences from both low- and high-risk HPV variants and using site-directed mutagenesis combined with NMR spectroscopy and cell-based assays, we demonstrate that the presence of two key nonpolar valine residues within the CK2 recognition sequence, present in low-risk E7, reduces serine phosphorylation efficiency relative to high-risk E7. This results in significant loss of the ability of E7 to degrade the retinoblastoma tumor suppressor protein, thus also reducing the ability of E7 to increase cellular proliferation and reduce senescence. This provides additional insight into the differential E7-mediated outcomes when cells are infected with high-risk verses low-risk HPV. Understanding these oncogenic differences may be important to developing targeted treatment options for HPV-induced cancers.

Lung cancer is the leading cause of cancer-related mortality worldwide. In order to improve its overall survival, early diagnosis is required. Since current screening methods still face some pitfalls, such as high false positive rates for low-dose computed tomography, researchers are still looking for early biomarkers to complement existing screening techniques in order to provide a safe, faster, and more accurate diagnosis. Biomarkers are biological molecules found in body fluids, such as plasma, that can be used to diagnose a condition or disease. Metabolomics has already been shown to be a powerful tool in the search for cancer biomarkers since cancer cells are characterized by impaired metabolism, resulting in an adapted plasma metabolite profile. The metabolite profile can be determined using nuclear magnetic resonance, or NMR. Although metabolomics and NMR metabolite profiling of blood plasma are still under investigation, there is already evidence for its potential for early-stage lung cancer diagnosis, therapy response, and follow-up monitoring. This review highlights some key breakthroughs in this research field, where the most significant biomarkers will be discussed in relation to their metabolic pathways and in light of the altered cancer metabolism. [ABSTRACT FROM AUTHOR]

The urgent need for efficient energy storage devices (supercapacitors and batteries) has attracted ample interest from scientists and researchers in developing materials with excellent electrochemical properties. Electrode material based on carbon, transition metal oxides, and conducting polymers (CPs) has been used. Among these materials, carbon has gained wide attention in Electrochemical double-layer capacitors (EDLC) due to its variable morphology of pores and structural properties as well as its remarkable electrical and mechanical properties. In this context, the present review article summarizes the history of supercapacitors and the basic function of these devices, the type of carbon electrode materials, and the different strategies to improve the performance of these devices. In addition, we present different approaches to studying the charging mechanism of these devices through different electrochemical techniques existing in the literature, since a deeper understanding of the interfacial charge storage mechanisms is also crucial in the elaboration and performance of the electrode material. We make a comparison of the different techniques and present their advantages and challenges. Taking these advances into account, we consider that the coupling between two methods/techniques provides a better understanding of the charge storage mechanisms in energy storage devices.

The urgent need for efficient energy storage devices (supercapacitors and batteries) has attracted ample interest from scientists and researchers in developing materials with excellent electrochemical properties. Electrode material based on carbon, transition metal oxides, and conducting polymers (CPs) has been used. Among these materials, carbon has gained wide attention in Electrochemical double-layer capacitors (EDLC) due to its variable morphology of pores and structural properties as well as its remarkable electrical and mechanical properties. In this context, the present review article summarizes the history of supercapacitors and the basic function of these devices, the type of carbon electrode materials, and the different strategies to improve the performance of these devices. In addition, we present different approaches to studying the charging mechanism of these devices through different electrochemical techniques existing in the literature, since a deeper understanding of the interfacial charge storage mechanisms is also crucial in the elaboration and performance of the electrode material. We make a comparison of the different techniques and present their advantages and challenges. Taking these advances into account, we consider that the coupling between two methods/techniques provides a better understanding of the charge storage mechanisms in energy storage devices. [ABSTRACT FROM AUTHOR]

• The protein E7 from high-risk HPV is phosphorylated by the protein kinase CK2 to a greater degree compared to low-risk HPV, which could be a contributing factor to the oncogenic properties of high-risk HPV. • The presence of valine residues in the CK2 recognition sequence of E7 are prevalent in the most clinically relevant low-risk serotypes of HPV. • Using site directed mutagenesis, two valine residues were introduced in high-risk E7 to mimic the CK2 recognition domain of low-risk E7. This slight modification was adequate to significantly modify the rate of phosphorylation for high-risk E7 as determined by NMR. • In two different cell model systems the presence of the two valine residues in the CK2 recognition sequence of high-risk E7 resulted in decreased levels of degradation of the retinoblastoma protein. • In primary cervical cells the proliferative advantage and extended lifespans of high-risk E7 were mitigated by modifying the CK2 binding domain with the addition of the two valines to mimic E7 from low-risk HPV. The Human papillomavirus (HPV) causes tumors in part by hijacking the host cell cycle and forcing uncontrolled cellular division. While there are >200 genotypes of HPV, 15 are classified as high-risk and have been shown to transform infected cells and contribute to tumor formation. The remaining low-risk genotypes are not considered oncogenic and result in benign skin lesions. In high-risk HPV, the oncoprotein E7 contributes to the dysregulation of cell cycle regulatory mechanisms. High-risk E7 is phosphorylated in cells at two conserved serine residues by Casein Kinase 2 (CK2) and this phosphorylation event increases binding affinity for cellular proteins such as the tumor suppressor retinoblastoma (pRb). While low-risk E7 possesses similar serine residues, it is phosphorylated to a lesser degree in cells and has decreased binding capabilities. When E7 binding affinity is decreased, it is less able to facilitate complex interactions between proteins and therefore has less capability to dysregulate the cell cycle. By comparing E7 protein sequences from both low- and high-risk HPV variants and using site-directed mutagenesis combined with NMR spectroscopy and cell-based assays, we demonstrate that the presence of two key nonpolar valine residues within the CK2 recognition sequence, present in low-risk E7, reduces serine phosphorylation efficiency relative to high-risk E7. This results in significant loss of the ability of E7 to degrade the retinoblastoma tumor suppressor protein, thus also reducing the ability of E7 to increase cellular proliferation and reduce senescence. This provides additional insight into the differential E7-mediated outcomes when cells are infected with high-risk verses low-risk HPV. Understanding these oncogenic differences may be important to developing targeted treatment options for HPV-induced cancers. [Display omitted] [ABSTRACT FROM AUTHOR]

In this contribution I describe my personal memories of my work with Herman Berendsen and the Biophysical chemistry group in Groningen in the period of years from 1967 to 1975. [ABSTRACT FROM AUTHOR]

An electroluminescence (EL) material plays a key role in electrical and optical efficiency of an organic light emitting diode (OLED) display. High purity, over 99.9%, EL materials have been required to be deposited onto OLED panel, producing a long‐life time device. Even less than 0.1% of impurities are deposited on the panel, which can drop their efficiency and lifetimes very seriously. In this work, we have developed faster and more accurate evaluation methods to identify unknown impurities in emitting materials. We can separate each other by using semi‐prep liquid chromatography and define their chemical structures by combining mass spectrometry and nuclear magnetic resonance results. The impurities in the in the manufacturing process were identified, which causes the efficiency drop, down to 8%. We find out these were coming from other EL materials in the process by accident. Finally, we can guarantee highquality assurance of our panels and eliminate potential risk factors in the manufacturing process. [ABSTRACT FROM AUTHOR]

Lung cancer cells are well documented to rewire their metabolism and energy production networks to enable proliferation and survival in a nutrient-poor and hypoxic environment. Although metabolite profiling of blood plasma and tissue is still emerging in omics approaches, several techniques have shown potential in cancer diagnosis. In this paper, the authors describe the alterations in the metabolic phenotype of lung cancer patients. In addition, we focus on the metabolic cooperation between tumor cells and healthy tissue. Furthermore, the authors discuss how metabolomics could improve the management of lung cancer patients. [ABSTRACT FROM AUTHOR]

The complex pore structure of rock may influence resistivity logs and make it challenging to perform saturation estimations with better precision. For example, water saturation may go higher or lower when Archie’s formulae are used to obtain the saturation as the logging resistivity may become greater or smaller, due to the influences of complex pore structures in the reservoirs. In this paper, having considered the influences of pore structure on logging resistivity, we have developed a different algorithm to improve the equivalent rock element model (EREM, a rock conduction model) to have better water saturation. First of all, the nuclear magnetic resonance (NMR) echo data of cores are inverted by using the optimized inversion to calculate pore parameters, such as the average radius of spherical pore tubular pore, Cd path, and sorting coefficient. Secondly, according to the parameters derived from the optimization inversions, the pore structures of the core are divided into different groups. Based on the classifications of the pore structure, the conduction parameters of rock for different pore structures are determined by fitting the experimental conduction data of rock with a damping factor. Finally, the working flow of calculating fluid saturation according to the EREM model is determined for different conduction parameters. The key feature of the improved EREM saturation model is to eliminate the influence of pore structure on rock conduction, highlight the influence of pore fluid on rock conduction, and then improve the calculation accuracy of saturation in it. The applications of our research show that the saturation estimations derived from the improved EREM model appear to be more reasonable in terms of the saturation value and its numerical trend. Thus, the improved EREM model has potential in petroleum exploration and exploitation.

Copyright of Forensic Science & Technology is the property of Institute of Forensic Science, Ministry of Public Security and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The chemical characterization of local Italian potato cultivars is reported to promote their preservation and use as high quality raw material in food industries. Twenty potato (Solanum tuberosum L.) cultivars from Piedmont and Liguria Italian regions were investigated using NMR (Nuclear Magnetic Resonance) and RP-HPLC-PDA-ESI-MSn (Reversed Phase High-Performance Liquid Chromatography with Photodiode Array Detector and Electrospray Ionization Mass Detector) methodologies. Water soluble and lipophilic metabolites were identified and quantified. With respect to literature data, a more complete 1H (protonic) spectral assignment of the aqueous potato extracts was reported, whereas the 1H NMR assignment of potato organic extracts was reported here for the first time. Phenolics resulted to be in high concentrations in the purple–blue colored Rouge des Flandres, Bergerac, Fleur Bleu, and Blue Star cultivars. Servane, Piatlina, and Malou showed the highest amount of galacturonic acid, a marker of pectin presence, whereas Jelly cultivar was characterized by high levels of monosaccharides. Roseval and Rubra Spes contained high levels of citric acid involved in the inhibition of the enzymatic browning in fresh-cut potato. High levels of the amino acids involved in the formation of pleasant-smell volatile compounds during potato cooking were detected in Rouge des Flandres, Blue Star, Bergerac, Roseval, and Ratte cultivars. These results suggest that each local cultivar is characterized by a proper chemical profile related to specific proprieties that can be useful to obtain high quality industrial products.

Phospholipase B (EC 3.1.1.5) are a distinctive group of enzymes that catalyzes the hydrolysis of fatty acids esterified at the sn-1 and sn-2 positions forming free fatty acids and lysophospholipids. The structural information and catalytic mechanism of phospholipase B are still not clear. Herein, we reported a putative phospholipase B (TmPLB1) from Talaromyces marneffei GD-0079 synthesized by genome mining library. The gene (TmPlb1) was expressed and the TmPLB1 was purified using E. coli shuffle T7 expression system. The putative TmPLB1 was purified by affinity chromatography with a yield of 13.5%. The TmPLB1 showed optimum activity at 35 °C and pH 7.0. The TmPLB1 showed enzymatic activity using Lecithin (soybean > 98% pure), and the hydrolysis of TmPLB1 by 31P NMR showed phosphatidylcholine (PC) as a major phospholipid along with lyso-phospholipids (1-LPC and 2-LPC) and some minor phospholipids. The molecular modeling studies indicate that its active site pocket contains Ser125, Asp183 and His215 as the catalytic triad. The structure dynamics and simulations results explained the conformational changes associated with different environmental conditions. This is the first report on biochemical characterization and structure dynamics of TmPLB1 enzyme. The present study could be helpful to utilize TmPLB1 in food industry for the determination of food components containing phosphorus. Additionally, such enzyme could also be useful in Industry for the modifications of phospholipids.

A series of 5-alkoxy derivatives of 3,4-dichloro-5-hydroxyfuran-2-(5 H )-one (mucochloric acid, MCA) were obtained and subsequently subjected to modification in the C-4 position of 2(5 H )-furanone ring. The cytotoxicity of newly synthesized compounds was evaluated in MTT assay against non-small cell lung cancer (A549) and healthy lung epithelial cell line (BEAS-2B). The derivatives containing a branched alkoxy substituent in the C-5 position demonstrated the highest anticancer properties, whereas modification of compounds in the C-4 position of 2(5 H )-furanone ring only slightly improve their antiproliferative properties. Compounds 12 and 15 exhibited the best selectivity towards A549 cells and were also evaluated in a panel of cancer cell lines of different origin. Further investigation revealed that treatment of A549 cell line with compounds 12 and 15 led to G2 phase cell cycle arrest and induction of caspase-independent cell death. Moreover, compound 12 was found to act synergistically with erlotinib. [ABSTRACT FROM AUTHOR]

Solar radiation plays an important role in carbon cycling by increasing the decomposition rates of plant litter and soil organic matter (i.e. photodegradation). Previous work suggests that exposure to radiation can facilitate microbial decomposition of litter by altering litter chemistry and consequently litter degradability (i.e. photopriming). However, it remains unclear to what extent photopriming contributes to litter decomposition processes and on what timescale photopriming operates. We conducted laboratory experiments to compare the effects of UV photopriming at two temporal scales (months versus days). In one experiment, we found that four months of UV exposure induced a significant but small (3–4%) mass loss in two of three litter species commonly found in California oak savanna; however, UV exposure did not alter litter degradability as measured by microbial respiration in an incubation experiment. We also found that UV exposure had limited effects on lignin and other cell wall structures, but one month of microbial decomposition (in absence of UV exposure) significantly reduced lignin β-aryl ether inter-unit linkages and acetylated xylans. These results indicate that abiotic photodegradation alone was ineffective at breaking down lignin. In another experiment, litter of a common grass was exposed to either alternating UV radiation and dark conditions or constant darkness for 128 days. We found that the alternating UV exposure increased litter CO 2 production in both dark and UV phases over that observed in constant darkness. This led to a 35% greater release of CO 2 from the alternating UV exposure treatment between days 65 and 128 of the experiment. These results demonstrate that alternating UV exposure with dark conditions is key to enabling photopriming on a timescale of days. Overall, we identify short-term photopriming as a novel mechanism behind photodegradation. Our results also challenge the conventional hypothesis that abiotic processes are primarily responsible for degrading lignin during photodegradation. [ABSTRACT FROM AUTHOR]

Galectins are β-galactoside-binding proteins. As carbohydrate-binding proteins, they participate in intracellular trafficking, cell adhesion, and cell–cell signaling. Accumulating evidence indicates that they play a pivotal role in numerous physiological and pathological activities, such as the regulation on cancer progression, inflammation, immune response, and bacterial and viral infections. Galectins have drawn much attention as targets for therapeutic interventions. Several molecules have been developed as galectin inhibitors. In particular, TD139, a thiodigalactoside derivative, is currently examined in clinical trials for the treatment of idiopathic pulmonary fibrosis. Herein, we provide an in-depth review on the development of galectin inhibitors, aiming at the dissection of the structure–activity relationship to demonstrate how inhibitors interact with galectin(s). We especially integrate the structural information established by X-ray crystallography with several biophysical methods to offer, not only in-depth understanding at the molecular level, but also insights to tackle the existing challenges. [ABSTRACT FROM AUTHOR]

PTEN, an important tumor suppressor and a key regulator of the PI3K/AKT signaling pathway, is often deleted/mutated in different types of cancer. The E3 ubiquitin ligase NEDD4-1 catalyzes the polyubiquitination of PTEN, thereby acting as a negative regulator of PTEN. Stability of NEDD4-1, in turn, is tightly controlled by a 34 kDa oncoprotein, p34 SEI−1 and it regulates PTEN degradation and activates PI3K/AKT pathway, resulting in cancer metastasis. p34 SEI−1 affects not only the expression of NEDD4-1 during transcription and translation but also the subcellular localization of PTEN. This emphasizes the need to understand, at molecular level, the interaction between NEDD4-1 and p34 SEI−1 . A recent study showed that NEDD4-1 interacts with p34 SEI−1 via its WWI domain. However, a detailed interaction for molecular level is yet unknown. We report that the WW1 domain of NEDD4-1 recognizes the SERTA domain containing the proline rich region (PRR motif) in p34 SEI−1 . TALOS analysis based on NMR data confirms three conserved β-sheets in NEDD4-1 WW1 and the central β-sheet of NEDD4-1 WW1 plays a role for protein stability by the backbone dynamics experiments. NMR titration data revealed the binding site for p34 SEI−1 with NEDD4-1. Our data will provide insights into the molecular mechanism of NEDD4-1 and p34 SEI−1 interaction, which will be directly used for drug design which inhibits the molecular interaction involved in different cancer signaling. [ABSTRACT FROM AUTHOR]

NOX1 (NADPH oxidase) similar to phagocyte NADPH oxidase, is expressed mainly in the colon epithelium and it is responsible for host defense against microbial infections by generating ROS (reactive oxygen species). NOX1 is activated by two regulatory cytosolic proteins that form a hetero-dimer, Noxo1 (NOX organizer 1) and Noxa1 (NOX activator 1). The interaction between Noxa1 and Noxo1 is critical for activating NOX1. However no structural studies for interaction between Noxa1 and Noxo1 has not been reported till date. Here, we studied the inter-molecular interaction between the SH3 domain of Noxa1 and Noxo1 using pull-down assay and NMR spectroscopy. 15 N/ 13 C-labeled SH3 domain of Noxa1 has been purified for hetero-nuclear NMR experiments (HNCACB, CBCACONH, HNCA, HNCO, and HSQC). TALOS analysis using backbone assignment data of the Noxa1 SH3 domain showed that the structure primarily consists of β-sheets. Data from pull-down assay between the Noxo1 and Noxa1 showed that the SH3 domains (Noxa1) is responsible for interaction with Noxo1 C-terminal tail harboring proline rich region (PRR). The concentration-dependent titration of the Noxo1 C-terminal tail to Noxa1 shows that Noxo1 particularly in the RT loop: Q407*, H408, S409, A412*, G414*, E416, D417, L418, and F420; n-Src loop: C430, E431*, V432*, A435, W436, and L437; and terminal region: I447; F448*, F452* and V454 interact with Noxa1. Our results will provide a detailed understanding for interaction between Noxa1 and Noxo1 at the molecular level, providing insights into their cytoplasmic activity-mediated functioning as well as regulatory role of C-terminal tail of Noxo1 in the NOX1 complex. [ABSTRACT FROM AUTHOR]

Maturity stage affects the bioactive compounds as well as the antioxidant capacity in the fruit. This study was designed to identify and quantify carotenoids, as well as to evaluate vitamin E, vitamin C, antioxidant capacity and total phenolic compounds of Rosa rugosa hips at different degrees of ripeness. HPLC (high performance liquid chromatography) analysis showed different types of carotenoids at different stages of maturity of R. rugosa hips with significant differences (p ˂ 0.05), where the maximum concentration was observed at late harvesting. In the hips investigated, only α-tocopherol was detected, the maximum concentration of both vitamin E and vitamin C was obtained in the orange hips with significant difference (p ˂ 0.05). On the other hand, the highest hydrophilic and lipophilic TEAC (Trolox equivalent antioxidant capacity) values, as well as total phenolic contents, were determined in the mature hips (red colour) with significant difference (p < 0.0001) and (p < 0.001) respectively, whereas ORAC (oxygen radical absorbance capacity) showed lower activity in the mature hips with significant difference (p ˂ 0.05). Late harvesting is recommended if a high content of carotenoids is desired, while harvesting should be carried out earlier if a higher vitamin E and vitamin C content is desired, which in turn affects the antioxidants capacity.

In this paper we describe the synthesis and characterization of a homologous series of linear polyglycol-based frothers comprising alkyl, propoxy (propylene oxide, PO), and ethoxy (ethylene oxide, EO) groups. The identities were confirmed by proton nuclear magnetic resonance spectroscopy and total organic carbon analysis. Characterization used three parameters, bubble size, gas holdup and water overflow rate, measured in a bubble column. The results indicate that increasing number of PO groups led to significant decrease in bubble size, and increase in gas holdup and water overflow rate. Increasing the alkyl chain length, gave similar but less pronounced trends; the least effect was increasing the number of EO groups. Changing the relative position of the PO and EO group had a significant effect on all three parameters. To account for the effect of PO/EO position, a mechanism based on effect of structure on molecule packing at the air/water interface is proposed. [ABSTRACT FROM AUTHOR]

Highlights: [•] PEG–PPG copolymer is fragmented during Cu electrodeposition. [•] Fragmented PEG–PPG is continuously accumulated in the aged solution. [•] Fragmented PEG–PPG is easily desorbed from Cu surface with the competition of SPS. [•] Aged plating solution results in the higher electrical resistivity of deposited Cu. [Copyright &y& Elsevier]

Abstract: Vitamin D receptor (VDR) plays a crucial role in many cellular processes including calcium and phosphate homeostasis. Previous purification methods from prokaryotic and eukaryotic expression systems were challenged by low protein solubility accompanied by multi purification steps resulting in poor protein recovery. The full-length VDR and its ligand binding domain (LBD) were mostly (>90%) insoluble even when expressed at low temperatures in the bacterial system. We describe a one-step procedure that results in the purification of rat VDR and LBD proteins in high-yield from Escherichia coli inclusion bodies. The heterologously expressed protein constructs retained full function as demonstrated by ligand binding and DNA binding assays. Furthermore, we describe an efficient strategy for labeling these proteins with 2H, 13C, and 15N for structural and functional studies by nuclear magnetic resonance (NMR) spectroscopy. This efficient production system will facilitate future studies on the mechanism of vitamin D action including characterization of the large number of synthetic vitamin D analogs that have been developed. [Copyright &y& Elsevier]

NMR can be used in food analysis for origin discrimination and biomarker discovery using a metabolomic approach. Here, we present an example of this strategy to discriminate honey samples of different botanical origins. The NMR spectra of 353 chloroform extracts of selected honey samples were analyzed to detect possible markers of their floral origin. Six monofloral Italian honey types (acacia, linden, orange, eucalyptus, chestnut, and honeydew) were analyzed together with polyfloral samples. Specific markers were identified for each monofloral origin: two markers for acacia (chrysin and pinocembrin), one for chestnut (γ-LACT-3-PKA), two for orange (8-hydroxylinalool and caffeine), one for eucalyptus (dehydrovomifoliol), one for honeydew (a diacylglycerilether) and two for linden (4-(1-hydroxy-1-methylethyl)cyclohexa-1,3-diene-carboxylic acid and 4-(1-methylethenyl)cyclohexa-1,3-diene-carboxylic acid). An NMR-based metabolomic approach that used O2PLS-DA multivariate data analysis allowed us to discriminate the different types of honey. Two different classifiers were built based on different multivariate techniques. The high precision of the classification obtained suggests that this approach could be useful to develop generally applicable metabolomic tools to discriminate the origin of honey samples. [ABSTRACT FROM AUTHOR]

The purpose of this study is to understand the physical and chemical characteristics of biodiesel blended fuel reformed by ultrasonic energy irradiation. To do this, a mixture of commercial diesel fuel and biodiesel was compared and analyzed according to whether or not ultrasonic energy irradiation was performed and the duration of irradiation. The results of the experiments indicate that when ultrasonic energy irradiation was performed on biodiesel blended fuel, its viscosity decreased by 3–7%. In the case of BD20, when ultrasonic energy irradiation was performed, its Sauter mean diameter (SMD) dropped by 12% on average. As the irradiation duration increased, the volume ratio of olefins increased up to a maximum of 2.7%, and the higher heating value increased to a maximum of 5.8%. On the contrary, the ratio of aromatics decreased by a maximum of 2.7%, and BI decreased by a maximum of 7%. [ABSTRACT FROM AUTHOR]

Abstract: A complete procedure is described for the extraction, detection and quantification of anatoxin-a in biological samples. Anatoxin-a is extracted from biomass by a routine acid base extraction. The extract is analysed by GC–MS, without the need of derivatization, with a detection limit of 0.5ng. A method was developed for the accurate quantification of anatoxin-a in the standard solution to be used for the calibration of the GC analysis. 1H NMR allowed the accurate quantification of microgram quantities of anatoxin-a. The accurate quantification of compounds in standard solutions is rarely discussed, but for compounds like anatoxin-a (toxins with prices in the range of a million dollar a gram), of which generally only milligram quantities or less are available, this factor in the quantitative analysis is certainly not trivial. The method that was developed can easily be adapted for the accurate quantification of other toxins in very dilute solutions. [Copyright &y& Elsevier]

The effects of the Ca2+ sensitizer levosimendan and that of its stereoisomer dextrosimendan on the cardiac contractile apparatus were studied using skinned fibers obtained from guinea pig hearts. Levosimendan was found to be more effective than dextrosimendan in this model. The respective concentrations of levosimendan and dextrosimendan at EC50 were 0.3 and 3 μM. In order to explain the difference in efficacy as Ca2+ sensitizers, the binding of the two stereoisomers on cardiac troponin C was studied by nuclear magnetic resonance in the absence and presence of two peptides of cardiac troponin I. The two stereoisomers interacted with both domains of cardiac troponin C in the absence of cardiac troponin I. In the presence of cardiac troponin I-(32–79) and cardiac troponin I-(128–180), the binding of both levosimendan and dextrosimendan to the C-terminal domain of cardiac troponin C was blocked and only the binding to the N-terminal domain was observable. Differences in the overall binding behavior of the two isomers to cardiac troponin C were highlighted in order to discuss their structure to activity relation. Our data are consistent with the notion that the action of levosimendan as a Ca2+ sensitizer and positive inotrope relates to its stereoselective binding to Ca2+-saturated cardiac troponin C. [Copyright &y& Elsevier]

Three regioisomers of a naturally occurring lysophosphatidylcholine were chemically synthesized from glycerol. The phosphocholine moiety of the molecule was introduced by sequentially reacting with ethylene chlorophosphite, bromine, water, and trimethyl amine. Removal of a silyl protecting group of the hydroxyl group in the glycerol backbone was achieved without any accompanying acyl migration in the final stage of the synthesis by using NBS in a dimethyl sulfoxide–water cosolvent system. Structures of all regioisomers were compared by NMR spectroscopy and FAB tandem mass spectrometry. [Copyright &y& Elsevier]

The micellar structure of a barium nonylphenolate/barium carbonate complex was characterized by 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. Several NMR techniques, including measurement of spin-lattice relaxation time, chemical shift variation, and line width of the 1H NMR signal and solid-state 13C NMR data, were used in this study. NMR results indicate that the prepared barium nonylphenolate and barium carbonate complex formed a micelle structure with the oxygen atom of the nonylphenolate ring oriented toward the solid-state center core of barium carbonate while the highly branched aliphatic chain pointed outward to the hydrocarbon solvent. [ABSTRACT FROM AUTHOR]

Since its introduction in the late 19th century, the socalled cohesion theory has become widely accepted as explaining the mechanism of the ascent of sap. According to the cohesion theory, the minimum standing vertical xylem tension gradient should be 0.01 MPa m-1. When transpiration is occurring, frictional resistances are expected to make this gradient considerably steeper. The results of numerous pressure chamber measurements reported in the literature are generally regarded as corroborating the cohesion theory. Nevertheless, several reports of pressure chamber measurements in tall trees appear to be incompatible with predictions of the cohesion theory. Furthermore, the pressure chamber is an indirect method for inferring xylem pressure, which, until recently, has not been validated by comparison against a direct method. The xylem pressure probe provides a means of testing the validity of the pressure chamber and other indirect techniques for estimating xylem pressure. We discuss here the results of concurrent measurements made with the pressure chamber and the xylem pressure probe, particularly recent measurements made at the top of a tall tropical tree during the rainy season. These measurements indicate that the pressure chamber often substantially overestimates the tension previously existing in the xylem, especially in the partially dehydrated tissue of droughts plants. We also discuss other evidence obtained from classical and recent approaches for studying water transport. We conclude that the available evidence derived from a wide range of independent approaches warrants a critical reappraisal of tension-driven water transport as the exclusive mechanism of long-distance water transport in plants. [ABSTRACT FROM AUTHOR]

The chemical characterization of local Italian potato cultivars is reported to promote their preservation and use as high quality raw material in food industries. Twenty potato (Solanum tuberosum L.) cultivars from Piedmont and Liguria Italian regions were investigated using NMR (Nuclear Magnetic Resonance) and RP-HPLC-PDA-ESI-MSn (Reversed Phase High-Performance Liquid Chromatography with Photodiode Array Detector and Electrospray Ionization Mass Detector) methodologies. Water soluble and lipophilic metabolites were identified and quantified. With respect to literature data, a more complete 1H (protonic) spectral assignment of the aqueous potato extracts was reported, whereas the 1H NMR assignment of potato organic extracts was reported here for the first time. Phenolics resulted to be in high concentrations in the purple–blue colored Rouge des Flandres, Bergerac, Fleur Bleu, and Blue Star cultivars. Servane, Piatlina, and Malou showed the highest amount of galacturonic acid, a marker of pectin presence, whereas Jelly cultivar was characterized by high levels of monosaccharides. Roseval and Rubra Spes contained high levels of citric acid involved in the inhibition of the enzymatic browning in fresh-cut potato. High levels of the amino acids involved in the formation of pleasant-smell volatile compounds during potato cooking were detected in Rouge des Flandres, Blue Star, Bergerac, Roseval, and Ratte cultivars. These results suggest that each local cultivar is characterized by a proper chemical profile related to specific proprieties that can be useful to obtain high quality industrial products. [ABSTRACT FROM AUTHOR]

Phospholipase B (EC 3.1.1.5) are a distinctive group of enzymes that catalyzes the hydrolysis of fatty acids esterified at the sn-1 and sn-2 positions forming free fatty acids and lysophospholipids. The structural information and catalytic mechanism of phospholipase B are still not clear. Herein, we reported a putative phospholipase B (TmPLB1) from Talaromyces marneffei GD-0079 synthesized by genome mining library. The gene (TmPlb1) was expressed and the TmPLB1 was purified using E. coli shuffle T7 expression system. The putative TmPLB1 was purified by affinity chromatography with a yield of 13.5%. The TmPLB1 showed optimum activity at 35 °C and pH 7.0. The TmPLB1 showed enzymatic activity using Lecithin (soybean > 98% pure), and the hydrolysis of TmPLB1 by 31P NMR showed phosphatidylcholine (PC) as a major phospholipid along with lyso-phospholipids (1-LPC and 2-LPC) and some minor phospholipids. The molecular modeling studies indicate that its active site pocket contains Ser125, Asp183 and His215 as the catalytic triad. The structure dynamics and simulations results explained the conformational changes associated with different environmental conditions. This is the first report on biochemical characterization and structure dynamics of TmPLB1 enzyme. The present study could be helpful to utilize TmPLB1 in food industry for the determination of food components containing phosphorus. Additionally, such enzyme could also be useful in Industry for the modifications of phospholipids. [ABSTRACT FROM AUTHOR]

A new experiment is constructed aiming at the first direct high‐precision measurement of the helium‐3 nuclear magnetic moment with a relative precision of parts‐per‐billion or better. Methods similar to those used in proton and antiproton magnetic moment measurements are applied. As those techniques rely on the challenging detection of single spin‐flips, a novel Penning trap design optimized for nuclear spin‐flip detection is developed. [ABSTRACT FROM AUTHOR]

Maturity stage affects the bioactive compounds as well as the antioxidant capacity in the fruit. This study was designed to identify and quantify carotenoids, as well as to evaluate vitamin E, vitamin C, antioxidant capacity and total phenolic compounds of Rosa rugosa hips at different degrees of ripeness. HPLC (high performance liquid chromatography) analysis showed different types of carotenoids at different stages of maturity of R. rugosa hips with significant differences (p ˂ 0.05), where the maximum concentration was observed at late harvesting. In the hips investigated, only α-tocopherol was detected, the maximum concentration of both vitamin E and vitamin C was obtained in the orange hips with significant difference (p ˂ 0.05). On the other hand, the highest hydrophilic and lipophilic TEAC (Trolox equivalent antioxidant capacity) values, as well as total phenolic contents, were determined in the mature hips (red colour) with significant difference (p < 0.0001) and (p < 0.001) respectively, whereas ORAC (oxygen radical absorbance capacity) showed lower activity in the mature hips with significant difference (p ˂ 0.05). Late harvesting is recommended if a high content of carotenoids is desired, while harvesting should be carried out earlier if a higher vitamin E and vitamin C content is desired, which in turn affects the antioxidants capacity. [ABSTRACT FROM AUTHOR]