Crystal structure of 1-benzoyl-2,7-dimethoxy-8-(3,5-dimethylbenzoyl) naphthalene: Head-to-head fashioned molecular motif for accumulating weak non-classical hydrogen bonds

Title compound, 1-benzoyl-2,7-dimethoxy-8-(3,5-dimethylbenzoyl)naphthalene, an unsymmetrically substituted aromatic diketone compound having non-coplanarly accumulated aromatic rings structure, has been synthesized and its crystal structure has been determined by X-ray crystallography. The asymmetric unit of title compound contains two independent conformers. For each conformer, the two aroyl groups are non-coplanarly situated against the naphthalene ring plane and oriented in an opposite direction. The 3,5-dimethylbenzoyl group leans more than the non-substituted benzoyl group on the other peri-position of the naphthalene ring. The characteristics in the single molecular crystal structure of this unsymmetrical compound show unique relationship with two symmetrically substituted homologues, namely 1,8-dibenzoyl-2,7-dimethoxynaphthalene and 2,7-dimethoxy-1,8-bis(3,5-dimethylbenzoyl) naphthalene. Dihedral angles between 3,5-dimethylbenzene ring and naphthalene ring of 2,7-dimethoxy-1,8-bis(3,5-dimethylbenzoyl)naphthalene are larger than those between benzene ring and naphthalene ring of 1,8-dibenzoyl-2,7-dimethoxynaphthalene. Dihedral angle between 3,5-dimethylbenzoyl group and naphthalene ring in title compound is close to those of symmetrical homologue having two 3,5-dimethylbenzoyl groups. In the similar manner, dihedral angle between non-substituted benzoyl group and naphthalene ring in title compound is also close to those of symmetrical homologue bearing two non-substituted benzoyl groups. On the other hand, the crystal packing of title compound has rather similar feature with 2,7-dimethoxy-1,8-bis(3,5-dimethylbenzoyl)naphthalene. Two compounds have common crystalline molecular structural motif of head-to-head fashioned intermolecular interaction of 3,5-dimethylbenzoyl moieties. It is interpreted that the interactions between (sp3)C–H and π orbital preferentially govern the molecular packing motif. Molecular structure feature of title compound and the symmetrically 3,5-dimethylbenzoylated homologue strongly manifests that accumulation of weak non-classical hydrogen bonds play a crucial role in determination of the crystal packing rather than sole function of stronger non-classical hydrogen bond and π…π stacking

Twenty four year time trends in fats and cholesterol intake by adolescents. Warsaw Adolescents Study

The objective of this study was to determine time trends (1982–2006) in total fat intake and changes in fatty acid structure intake in adolescents from Warsaw in view of increasing prevalence of obesity. Data come from four successive surveys randomly selected samples of adolescents (aged 11–15 years old), from Warsaw region. In total 9747 pupils have been examined, with response rate varying from 55% to 87% depending on year. Surveys were done always in the spring season of the year. Food intake was assessed by using 24 hours recall method of consumption by the pupils all products, including enriched, dishes and beverages as well as diet supplements, in the last 24 hours preceding the examination. The content of energy and nutrients was calculated by means of own computer softwares (DIET 2 and 4), taking into account successive revisions of the tables of food composition and nutritional values, as well as current Polish DRI. A significant decreasing trend was found in intake of total fat, of saturated fatty acids (SFA) and cholesterol. The percentage of energy from total fat, also decreased both in boys (to 35,1%) and girls (to 33,7%), what failed to reach the desired level below 30% of energy from fat which is recommended. Also significant decrease of SFA consumption was not satisfactory enough to approach the values <10% of energy recommended as was from 13% to 15%. Decreasing trends in fat intake was not in accordance with the trend in obesity prevalence in the adolescents as average BMI is going up. To stabilize the health-oriented changes especially in the diets of adolescents, further activity is desired from professionals working with prevention of adolescents obesity

The use of vitamin supplements among adults in Warsaw: is there any nutritional benefit?

Background. The use of dietary supplements is widespread and can contribute substantially to total nutrient intake. However, it also generates some potential risks in the case of unreasonable and excessive use of such products. Objective. To estimate the prevalence of supplementation and the vitamin supplement contribution to total intake among Warsaw population aged 20-74 years. Material and methods. Nutrient intake and supplement use were studied in a representative sample of Warsaw population in years 2011/12 (486 men and 421 women) and in 2001 (658 and 671 respectively). The vitamin levels were analyzed in reference to the Recommended Dietary Allowance (RDA) and the tolerable upper intake level (UL). Results. In the years 2011/12 the use of dietary supplements (vitamins and minerals) was reported by 31% men and 40% women. Vitamin intake from food showed the deficiency of vitamins D, B1 and folates and adequate intake of vitamins A, C, E, B2, B6, B12. Supplementing with vitamins D and B1 as well as folic acid contributed to better RDA fulfillment. Supplementing with vitamins A, C, E, B2, B6 and B12 was not justified because these vitamins were taken in sufficient amounts with food. In 1.3%-14.9% supplement users, the total intake of vitamins A, C, E and B6 exceeded the UL. The prevalence of supplementation of vitamins A, C and E did not change between 2001 and 2011/12, but the total intake of vitamin A in both sexes and vitamins C, E in women was significantly higher in 2001. Conclusions. The use of dietary supplements in Warsaw population was widespread and in case of some vitamins- unreasonable.Wprowadzenie. Przyjmowanie suplementów diety jest popularne i może stanowić istotne źródło witamin i składników mineralnych. Jednocześnie niekontrolowane ich pobranie może stwarzać niebezpieczeństwo nadmiernego spożycia. Cel badań. Ustalenie rozpowszechnienia i zasadności stosowania suplementacji wśród mieszkańców Warszawy w wieku 20-74 lat. Materiał i metody. Sposób żywienia oraz przyjmowanie suplementów oceniono w reprezentatywnej próbie populacji Warszawy w roku 2011/12 (u 486 mężczyzn i 421 kobiet) oraz w roku 2001 (u odpowiednio 658 i 671 osób). Pobranie witamin analizowano w odniesieniu do zalecanego dziennego spożycia (RDA) oraz górnych bezpiecznych poziomów spożycia (UL). Wyniki. W latach 2011/2012 suplementy witaminowo-mineralne przyjmowało 31% mężczyzn i 40% kobiet. Spożycie witamin z żywnością było niedoborowe w przypadku witamin D, B1 i folianów oraz zgodne z zaleceniami dla witamin A, C, E, B2, B6, B12. Suplementacja witaminami D i B1 oraz kwasem foliowym przyczyniła się do lepszej realizacji RDA. Natomiast uzupełnianie diety witaminami A, C, E, B2, B6 oraz B12 nie miało uzasadnienia, ze względu na wystarczające ich spożycie z żywnością. W przypadku 1,3%-14,9% osób stosujących suplementy witamin A, C, E, i B6 notowano przekroczenie poziomów UL. Częstość przyjmowania suplementów witamin A, C i E była podobna w latach 2001 i 2011/12, ale sumaryczne pobranie witaminy A u obu płci oraz C, E u kobiet było istotnie wyższe w roku 2001. Wnioski. Wzbogacanie diety suplementami przez mieszkańców Warszawy było szeroko rozpowszechnione, a w przypadku niektórych witamin nieuzasadnione

Twenty four year time trends in fats and cholesterol intake by adolescents. Warsaw Adolescents Study

The objective of this study was to determine time trends (1982–2006) in total fat intake and changes in fatty acid structure intake in adolescents from Warsaw in view of increasing prevalence of obesity. Data come from four successive surveys randomly selected samples of adolescents (aged 11–15 years old), from Warsaw region. In total 9747 pupils have been examined, with response rate varying from 55% to 87% depending on year. Surveys were done always in the spring season of the year. Food intake was assessed by using 24 hours recall method of consumption by the pupils all products, including enriched, dishes and beverages as well as diet supplements, in the last 24 hours preceding the examination. The content of energy and nutrients was calculated by means of own computer softwares (DIET 2 and 4), taking into account successive revisions of the tables of food composition and nutritional values, as well as current Polish DRI. A significant decreasing trend was found in intake of total fat, of saturated fatty acids (SFA) and cholesterol. The percentage of energy from total fat, also decreased both in boys (to 35,1%) and girls (to 33,7%), what failed to reach the desired level below 30% of energy from fat which is recommended. Also significant decrease of SFA consumption was not satisfactory enough to approach the values <10% of energy recommended as was from 13% to 15%. Decreasing trends in fat intake was not in accordance with the trend in obesity prevalence in the adolescents as average BMI is going up. To stabilize the health-oriented changes especially in the diets of adolescents, further activity is desired from professionals working with prevention of adolescents obesity

A modular design approach to polymer-coated ZnO nanocrystals

Summary: Hybrid materials based on inorganic nanocrystals with organic polymers feature peculiar and fascinating properties and various applications. However, there is still a need for simple synthesis procedures that provide precise control over the polymer/nanocrystal microstructure of these materials. Herein, a novel organometallic approach to polymer-coated ZnO nanocrystals was developed. The presented method merges the initial ring-opening polymerization of ϵ-caprolactone mediated by an organozinc alkoxide initiator and an air-promoted transformation of the resulting macromolecular organozinc species. This one-pot procedure results in quantum-sized ZnO crystals with a core diameter of ca 3 nm coated by poly(ϵ-caprolactone) covalently bonded to the surface. Overall, the ability to create well-defined hybrid composites should provide a unique ability to access various nanosystems

Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes

A series of dichloroaluminum carboxylates [Cl₂Al­(O₂CR)]₂ (were R = Ph (<b>1a</b>), ^tBu (<b>1b</b>), CHCH₂ (<b>1c</b>) and C₁₁H₂₃ (<b>1d</b>)) were prepared and extended investigations on their structure and reactivity toward various Lewis bases and H₂O performed. Compounds [Cl₂Al­(O₂CR)]₂ and their adducts with Lewis bases show a large structural variety, featuring both molecular and ionic forms with different coordination numbers of the metal center and various coordination modes of the carboxylate ligand. Upon addition of a Lewis base of moderate strength the molecular form [Cl₂Al­(O₂CR)]₂ equilibrates with new ionic forms. In the presences of 4-methylpyridine the six-coordinate Lewis acid–base adducts [Cl₂Al­(λ₂-O₂CR)­(<i>py</i>-Me)₂] [R = Ph (<b>3a</b>), ^tBu (<b>3b</b>)] with a chelating carboxylate ligand were formed. The reactions of <b>1a</b>, <b>1b</b>, and <b>1d</b> with 0.33 equiv of H₂O in THF-toluene solution lead to oxo carboxylates [(Al₃O)­(O₂CR)₆(THF)₃] [AlCl₄] [where R = Ph (<b>4a</b>_THF), ^tBu (<b>4b</b>_THF), and C₁₁H₂₃ (<b>4d</b>_THF)] in high yield. The similar reaction of <b>1c</b> in tetrahydrofuran (THF) afforded the chloro­(hydroxo)aluminum acrylate [(ClAl)₂(OH)­(O₂CC₂H₃)₂ (THF)₄]­[AlCl₄] (<b>5</b>), while the hydrolysis of <b>1b</b> in MeCN lead to the hydroxoaluminum carboxylate [Al₂(OH)­(O₂C^tBu)₂(MeCN)₆]­[AlCl₄)₃] (<b>6</b>). All compounds were characterized by elemental analysis, ¹H, ²⁷Al NMR, and IR spectroscopy, and the molecular structure of <b>1a</b>, <b>3a</b>, <b>3b</b>, <b>4a</b>_THF, <b>4b</b>_THF, <b>4b</b>_{<i>py‑</i>Me′}, <b>5</b>, and <b>6</b> were determined by single-crystal X-ray diffraction. The study provides a platform for testing transformations of secondary building units in Al-Metal–Organic Frameworks toward H₂O and neutral donor ligands