Hydrothermal synthesis, crystal structures and properties of new Fe, Co, Ni, and Zn complexes with 6-quinolinecarboxylate: Interplay of coordinative and noncovalent interactions

Reactions of Fe^II, Co^II, Ni^II, and Zn^II salts with 6-quinolinecarboxylic acid (HL) under the hydrothermal conditions afford three monomeric complexes [M(L)₂(H₂O)₄] (M = Fe^II for 1, Co^II for 2, and Ni^II for 3) and a 1-D polymeric species {[Zn(L)₂(H₂O)] · H₂O}_n (4). The crystal structures of the ligand HL and these four complexes have been determined by using the X-ray single-crystal diffraction technique. The results suggest that complexes 1-3 are isostructural, displaying novel 3-D pillar-layered networks through multiple intermolecular hydrogen bonds, whereas in coordination polymer 4, the 1-D comb-like coordination chains are extended to generate a hydrogen-bonded layer, which is further reinforced via aromatic stacking interactions. Solid-state properties such as thermal stability and fluorescence emission of the polymeric Zn^II complex 4 have also been investigated.     

Essential oil composition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy

The essential oils compositions of the 13 taxa (twelve species and two varities) of Bothriochloa have been studied. Two entities are endemics: Bothriochloa eurylemma and Bothriochloa meridionalis. The other nine taxa have disjunt distribution between North and South America and are representatives of two complexes: the Bothriochloa barbinodis complex and the Bothriochloa saccharoides complex. Multivariated statistical analysis (Principal Component Analysis, Hierarchical Cluster Analysis) applied to GC–MS data seems to have systematic significance for the delimitation of the species, independently of their morphological characteristics. However, some affinities with chromosome complement and mode of reproduction (amphimixis or sexuality) can be recognized.     

A combined approach using RAPD,ISSR and volatile analysis for the characterization of Thymus caespititius from Flores,Corvo and Graciosa islands (Azores,Portugal)

RAPDs and ISSRs were used as molecular markers and combined with the chemical analysis of the volatiles, aiming at characterizing Thymus caespititius from the islands of Corvo, Flores and Graciosa (Azores). Thirty-one individuals were analyzed using 17 RAPD and 11 ISSRs primers, which generated respectively 199 and 127 polymorphic scorable bands. Volatiles were isolated by distillation–extraction and analyzed by GC and GC–MS. Molecular data obtained from both markers discriminated assessments from Corvo and Flores which clustered separately from plants collected in Graciosa. Volatile data grouped plants in a similar way, giving rise to two groups, depending on their oil type; plants collected on Corvo and Flores yielded carvacrol-rich volatiles while those from Graciosa yielded both carvacrol and α-terpineol-rich oils.     

Coconut water (Cocos nucifera L.)—A new biocatalyst system for organic synthesis

A series of aliphatic and aromatic aldehydes and ketones was reduced using plant cell preparations from coconut juice, Cocos nucifera, also called ACC (água-de-coco do Ceará). The reduced products were typically obtained in excellent yields (%) and with very high enantiomeric excess. Esters, amides, and nitrobenzene, yielded acids, amines and an azoxyderivative with satisfactory results.     

Toward a rational design of selective multi-trypanosomatid inhibitors: a computational docking study

Compound V7, a benzothiazole which was recently found as selective inhibitor of trypanosomal TIMs, was docked into TIMs from Trypanosoma cruzi, Trypanosoma brucei, Entamoeba histolytica, Plasmodium falciparum, yeast, and human. Structural analyses revealed the importance of the accessibility to the two aromatic clusters located at the dimer’s interface for the selective inhibition of trypanosomal TIMs. Thus, it was found that different accessibilities of the protein interface of TIMs plays an important role in the inhibitory activity of benzothiazoles. These findings will contribute to the rational development and improvement of benzothiazoles to be used as multi-trypanosomatid inhibitors.     

法兰地草莓的芳香类和黄酮类成分

为了解草莓(Fragaria×ananassa Duch.)法兰地品种的化学成分,采用色谱分离方法,从新鲜果实的乙醇提取物中获得19个化合物。通过波谱数据分析鉴定了它们的结构,分别为对羟基苯甲酸(1)、没食子酸乙酯(2)、鞣花酸3-O-α-L-鼠李糖苷(3)、苄基β-D-葡萄糖苷(4)、淫羊藿次苷F2(5)、苄基6-O-α-L-呋喃阿拉伯糖基-β-D-葡萄糖苷(6)、苯乙基6-O-α-L-呋喃阿拉伯糖基-β-D-葡萄糖苷(7)、反式肉桂酰基β-D-葡萄糖苷(8)、顺式肉桂酰基β-D-葡萄糖苷(9)、反式对香豆酰基β-D-葡萄糖苷(10)、顺式对香豆酰基β-D-葡萄糖苷(11)、反式阿魏酰基β-D-葡萄糖苷(12)、山柰酚(13)、反式椴树苷(14)、山柰酚3-O-β-D-葡萄糖醛酸苷(15)、槲皮素(16)、槲皮素3-O-β-D-葡萄糖苷(17)、槲皮素3-O-β-D-葡萄糖醛酸苷(18)和根皮苷(19),化合物1~12为芳香类,其余为黄酮类。所有化合物均为首次从法兰地品种中报道,化合物4~9为首次从草莓中获得。     

Tyrosine latching of a regulatory gate affords allosteric control of aromatic amino acid biosynthesis

The first step of the shikimate pathway for aromatic amino acid biosynthesis is catalyzed by 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase (DAH7PS). Thermotoga maritima DAH7PS (TmaDAH7PS) is tetrameric, with monomer units comprised of a core catalytic (β/α)₈ barrel and an N-terminal domain. This enzyme is inhibited strongly by tyrosine and to a lesser extent by the presence of phenylalanine. A truncated mutant of TmaDAH7PS lacking the N-terminal domain was catalytically more active and completely insensitive to tyrosine and phenylalanine, consistent with a role for this domain in allosteric inhibition. The structure of this protein was determined to 2.0 Å. In contrast to the wild-type enzyme, this enzyme is dimeric. Wild-type TmaDAH7PS was co-crystallized with tyrosine, and the structure of this complex was determined to a resolution of 2.35 Å. Tyrosine was found to bind at the interface between two regulatory N-terminal domains, formed from diagonally located monomers of the tetramer, revealing a major reorganization of the regulatory domain with respect to the barrel relative to unliganded enzyme. This significant conformational rearrangement observed in the crystal structures was also clearly evident from small angle X-ray scattering measurements recorded in the presence and absence of tyrosine. The closed conformation adopted by the protein on tyrosine binding impedes substrate entry into the neighboring barrel, revealing an unusual tyrosine-controlled gating mechanism for allosteric control of this enzyme.     

A thermostable shikimate 5-dehydrogenase from the archaeon Archaeoglobus fulgidus

Shikimate 5-dehydrogenase (SKDH; EC 1.1.1.25) catalyzes the reversible reduction of 3-dehydroshikimate to shikimate and is a key enzyme in the aromatic amino acid biosynthesis pathway. The shikimate 5-dehydrogenase gene, aroE, from Archaeoglobus fulgidus was cloned and overexpressed in Escherichia coli. The recombinant enzyme purified as a homodimer and yielded a maximum specific activity of 732 U/mg at 87 degrees C (with NADP+ as coenzyme). Apparent Km values for shikimate, NADP+, and NAD+ were estimated at 0.17+/-0.03 mM, 0.19+/-0.01 mM, and 11.4+/-0.4 mM, respectively. The half-life of the A. fulgidus SKDH is 2 h at the assay temperature (87 degrees C) and 17 days at 60 degrees C. Addition of 1 M NaCl or KCl stabilized the enzyme's half-life to approximately 70 h at 87 degrees C and approximately 50 days at 60 degrees C. This work presents the first kinetic analysis of an archaeal SKDH.     

Study on one-pot four-component synthesis of 9-aryl-hexahydro-acridine-1,8-diones using SiO2–I as a new heterogeneous catalyst and their anticancer activity

A simple, efficient and cost-effective method for the synthesis of 9-aryl-hexahydro-acridine-1,8-diones by a one-pot four-component cyclocondensation of dimedone, aromatic aldehydes and ammonium acetate as a nitrogen source in the presence of a new heterogeneous catalyst silica iodide (SiO₂–I) in EtOH at 80 °C is described. SiO₂–I was subjected to SEM–EDX and found to have iodo group bound to the catalyst. Some of the prepared acridine-diones were found to exhibit promising anti-cancer activity against HepG2 and MCF-7 cell lines.     

Effect of yeast extract on fluoranthene degradation and aromatic ring dioxygenase expressing bacterial community structure of a fluoranthene degrading bacterial consortium

Fluoranthene (Fla) is a high molecular weight polycyclic aromatic hydrocarbon that exerts hazardous effects on living organisms. An efficient Fla degrading bacterial consortium LP was enriched from an oil contaminated soil sample, with and without yeast extract as a supplement. Objective of the present study was to see if there was any differential effect of yeast extract addition on Fla degradation potential and aromatic ring dioxygenase expressing bacteria (ARDB) of the enrichments. Primary enrichment of the soil sample was carried out in minimal salt medium (MSM) added with 500 mg l⁻¹ Fla and 0.05% yeast extract (YMSM). Secondary, tertiary and subsequent enrichments were prepared in YMSM and MSM after every sixteen days of incubation. Fla was efficiently degraded by YMSM enriched culture than MSM enriched culture. However, when MSM enrichment was incubated longer instead of further subculturings, it also degraded Fla efficiently. All three enrichments exhibited growth of bacterial colonies on Fla sprayed minimal agar plates however only YMSM enrichment showed clear zone forming bacterial colonies. A positive effect was observed of yeast extract on ARDB population of LP consortium. To our limited knowledge this is first time that effect of yeast extract on ARDB population was studied.