2-{[{2-Hydroxy-3-[2-methyl-5-(propan-2-yl)phenoxy]propyl}(pyridin -2-ylmethyl)amino]methyl}phenol

In the title racemic compound, C(26)H(32)N(2)O(3), an intramolecular O-H center dot center dot center dot N hydrogen bond is formed between the phenolic OH group and the tertiary amine N atom. Another O-H center dot center dot center dot N hydrogen bond that is formed between the OH group and the pyridine N atom links the molecules into a polymeric chain extending along the a axis. The structure is further stabilized by intramolecular and intermolecular C-H center dot center dot center dot O interactions.

A multi-sheeted three-dimensional potential-energy surface for the H-atom photodissociation of phenol

Extending the previous work of Lan et al. J. Chem. Phys., 122, 224315 (2005)], a multi-state potential model for the H atom photodissociation is presented. All three ``disappearing coordinates'' of the departing H atom have been considered. Ab initio CASSCF computations have been carried out for the linear COH geometry of C-2v symmetry, and for several COH angles with the OH group in the ring plane and also perpendicular to the ring plane. By keeping the C6H5O fragment frozen in a C-2v-constrained geometry throughout, we have been able to apply symmetry-based simplifications in the constructions of a diabatic model. This model is able to capture the overall trends of twelve adiabats at both torsional limits for a wide range of COH bend angles.

Vesicular Nanostructure Formation by Self-Assembly of Anisotropic Penta-phenol-Substituted Fullerene in Water

A study on self-assembly of anisotropically substituted penta-aryl fullerenes in water has been reported. The penta-phenol-substituted amphiphilic fullerene derivative C60Ph5(OH)(5)],exhibited self-assembled vesicular nanostructures in water under the experimental conditions. The size of the vesicles Was observed to depend upon the kinetics of self-assembly and could be varied from similar to 300 to similar to 70 nm. Our mechanistic study indicated that the self-assembly of C60Ph5(OH)(5) is driven by extensive intermolecular as well as water-mediated hydrogen :bonding along with fullerene-fullerene hydrophobic interaction in water. The cumulative effect of these interactions is responsible for the stability of vesicular structures even on the removal of solvent. The substitution of phenol with anisole resulted in different packing and interaction of the fullerene derivative, as Indicated in the molecular dynamics studies, thus resulting in different self-assembled nanostructures. The hollow vesicles were further encapsulated with a hydrophobic conjugated polymer and water-soluble dye as guest molecules. Such confinement of pi-conjugated polymers in fullerene has significance in bulk heterojunction devices for efficient exciton diffusion.

Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: a first principle study

To search for a high sensitivity sensor for formaldehyde (H2CO), We investigated the adsorption of H2CO on the intrinsic and Al-doped graphene sheets using density functional theory (DFT) calculations. Compared with the intrinsic graphene, the Al-doped graphene system has high binding energy value and short connecting distance, which are caused by the chemisorption of H2CO molecule. Furthermore, the density of states (DOS) results show that orbital hybridization could be seen between H2CO and Al-doped graphene sheet, while there is no evidence for hybridization between the H2CO molecule and the intrinsic graphene sheet. Therefore, Al-doped graphene is expected to be a novel chemical sensor for H2CO gas. We hope our calculations are useful for the application of graphene in chemical sensor.

Relation between TMAOase activity and content of formaldehyde in fillet minces and bellyflap minces from gadoid fishes

Minced fish is a significant component of a number of frozen fishery products like fish fingers, cakes and patties. Predominately minced fish is produced from gadoid species (Alaska pollack, cod, saithe, hake and others) possessing the enzyme trimethylamine oxide demethylase (TMAOase, E.C. 4.1.2.32) (Rehbein and Schreiber 1984). TMAOase catalyses the degradation of trimethylamine oxide (TMAO) to formaldehyde (FA) and dimethylamine (DMA), preferentially during frozen storage of products (Hultin 1992). In most gadoid species light muscle contains only low activity of TMAOase, the activity of red muscle and bellyflaps being somewhat higher. In contrast, the TMAOase activity in blood, kidney and other tissues, residues of which may contaminate minced fish flesh, may be higher for several orders of magnitude (Rehbein and Schreiber 1984).

A rapid and simple method for the determination of Formaldehyde in Fishery Products

The content of free formaldehyde (FA) in minced fish muscle was measured by the following procedure: A mixture of minced fish muscle and water was deproteinized by means of the Carrez reagent. The FA content of the filtrate was determined reflectometrically using the Reflectoquant test strips and the RQflex. The results agreed well with the colorimetrically (Nash test) measured FA content. Der Gehalt an freiem Formaldehyd (FA)in Fischerzeugnissen wurde mit folgender Methode bestimmt: Zerkleinertes Fischfleisch wurde mit Wasser homogenisiert und mit Carrez-Reagenz enteiweißt. Der Formaldehydgehalt des Filtrates wurde reflektometrisch unter Verwendung von Reflectoquant-Teststätbchen und des RQflex ermittelt. Die Ergebnisse stimmten gut mit kolorimetrisch (Nash Test) gemessenen FA-Gehalten überein.

Materiais compósitos biocidas baseados em resinas reticuladas contendo nanopartículas de prata

Nesta dissertação, duas resinas reticuladas comerciais (denominadas, AmberliteGT73 e AmberliteIRC748) foram empregadas para suportar partículas de prata. Os grupos tiol da GT73 e ácido iminodiacético da IRC748 presentes nessas resinas foram empregados para a fixação de íons Ag+ a partir de solução aquosa. Posteriormente, os íons Ag+ foram reduzidos pelo emprego de três redutores diferentes em pH alcalino, denominados hidrazina, hidroxilamina e formaldeído (pH  12). A morfologia e a impregnação de prata dos materiais binários assim obtidos foram avaliadas por meio de microscópio eletrônico de varredura equipado com detector de elétrons retro-espalhados (SEM-BSE). O detector de espectrometria de energia dispersiva de raios-X (EDAX) acoplado ao SEM permitiu a observação de partículas de prata. Os espectros de raios-X revelaram a presença do metal nas superfícies interna e externa das microesferas dos compósitos. A quantidade de prata incorporada foi determinada pelo método titulométrico, empregando solução padrão de tiocianato de potássio. As características antibactericidas dos compósitos foram avaliadas em colunas contendo pérolas de resina por onde foram percoladas suspensões da bactéria Escherichia coli auxotrópica AB1157 (tipo selvagem) nas concentrações de 103 a 107 células/mL. A avaliação biocida mostrou que estes materiais foram completamente bactericidas, sendo efetivos na eliminação da bactéria em poucos minutos. Esta ação biocida foi atribuída à combinação da atuação da prata e dos grupos funcionais das resinas

I. Studies on the activation of Drosophila phenol oxidase. II. Studies on serum insulin in normal subjects and diabetics

Part I

Phenol oxidase is the enzyme responsible for hardening and pigmentation of the insect cuticle. In Drosophila, phenol oxidase is a latent enzyme. Enzyme activity is produced by the interaction of a number of protein components. A minimal activation scheme consisting of six protein components, designated Pre S, S activator, S, P. P' and Ʌ₁ is described. Quantitative assays have been developed for the S activator, S, P and P' proteins and these components have been partially purified. Experiments describing the interactions of the six components have been conducted and a model for the activation of phenol oxidase in a minimal system is proposed. Possible mechanisms of the reactions between the constituents of the activating system and potential regulatory mechanisms involved in phenol oxidase production and function are discussed.

Part II

A method has been developed for the partial purification of insulin from human serum. A procedure for the determination of the electrophoretic mobility of serum insulin on polyacrylamide gels is described. An electrophoretic analysis of insulin isolated from a normal subject is reported and in addition to a major band, the existence of a number of minor bands of immunoreactive insulin is described. A comparison of the electrophoretic patterns of insulin isolated from normal and diabetic subjects was carried out and indications that differences between them may occur are reported.

Proposed Environmental Quality Standards for Phenol in Water

This is the Proposed Environmental Quality Standards (EQS) for Phenol in Water prepared for the National Rivers Authority, and published by the Environment Agency in 1995. The report reviews the properties and uses of phenol, its fate, behaviour and reported concentrations in the environment and critically assesses the available data on its toxicity and bioaccumulation. The information is used to derive EQSs for the protection of fresh and saltwater life and for the abstraction of water to potable supply. Phenol is widely used as a chemical intermediate and the main sources for phenol in the environment are of anthropogenic origin. Phenol may also be formed during natural decomposition of organic material. The persistence of phenol in the aquatic environment is low with biodegradation being the main degradation process (half-lives of hours to days). Phenol is moderately toxic to aquatic organisms and its potential to bioaccumulate in aquatic organisms is low.

Gel time studies in activation of polyester resins

Gelling times of polyester resins with varying quantities of catalyst and accelerator were studied and the results reported in this communication.

Effects of irradiation on formaldehyde concentration and nutritional changes of formalin treated fish, Pampus chinensis

Formaldehyde is a very reactive compound capable of interacting with many functional groups of proteins including intermolecular and intramolecular cross-links of the molecules. The formation of cross-linking bonds may induce conformational change in proteins that favor further interaction of functional and hydrophobic groups. Formaldehyde which has been using illegally as a chemical preservative by some fish traders in our country. A study was carried out to determine the effects of irradiation (1.5 KGy) on formaldehyde concentration and nutritional (protein and lipid) changes of formalin (37% formaldehyde) treated fish (fresh) samples and found that the concentration of formaldehyde both in treated samples (0.37% formalin and 0.37% formalin with 1.5 KGy irradiation) were 37.0 µg/gm and 36.75 µg/gm. On the other hand, the amount of protein and lipid in treated samples before radiation (14.56% and 3.49%) and after radiation (14.15% and 3.25%). That means, radiation has no effect on the change of protein, lipid and formaldehyde.