Can PF2OF exist?

G2 and G3 compound methods were used to explore the possibility that the covalent hypofluorite compound PF₂OF might exist as a stable compound. Calculations suggest that it may exist, making it a legitimate synthetic target. If it is isolable, it is likely to be very reactive, as the O-F bond is expected to be rather weak.     

The 1:3 uranium(VI)-8-hydroxyquinoline compound: its composition and thermal conversion into bis(8-hydroxyquinolinato)dioxouranium(VI)

Evidence is provided to show that in the red compound formed between uranium(VI) and 8-hydroxyquinoline, the ligand-to-uranium ratio is slightly lower than 3:1, at least when the compound is prepared by a widely accepted procedure. Competition between 8-hydroxyquinoline and other ligands such as water or ammonia is probably responsible for the non-stoichiometry. Further, it is shown that a procedure frequently used for the thermal conversion of the red compound into bis(8-hydroxyquinolmato)dioxouranium(VI) yields a compound in which the ligand-to-uranium ratio is less than 2:1. Conditions which lead to the thermal preparation of the stoichiometric bis compound are described.     

色质联用技术在毒物分析中的应用

从生物样品中检测未知物,一直以来是毒物分析中的一个难点。如何有效地提取目标化合物,并选择适合的检测手段将未知物筛选出来,GC-MS方法是快速筛选多种毒物和药物的一个简便、可靠的手段。随着MS技术的不断发展,更灵敏、更准确的特性将使其成为药物和毒物分析中必不可少的一门技术。     

Analytical application of Cherenkov radiation

The application of Cherenkov photometry gives a new possibility in isotope dilution analysis for determination of specific activity in a simple way. If the compound of the isotope is coloured or it can be converted into a coloured compound, it is possible to measure the activity and the concentration of the compound in one sample in one series of measurement. Methods were worked out for the determination of³²P specific activity by measuring the³²P efficiency, activity and the phosphorus content of the same sample. It is possible to measure the specific activity in an automatic mode with some modification of the liquid scintillation spectrometer.     

Antibacterial Activities and Molecular Docking of Novel Sulfone Biscompound Containing Bioactive 1,2,3-Triazole Moiety

In this study, a new synthetic 1,2,3-triazole-containing disulfone compound was derived from dapsone. Its chemical structure was confirmed using microchemical and analytical data, and it was tested for its in vitro antibacterial potential. Six different pathogenic bacteria were selected. MICs values and ATP levels were determined. Further, toxicity performance was measured using MicroTox Analyzer. In addition, a molecular docking study was performed against two vital enzymes: DNA gyrase and Dihydropteroate synthase. The results of antibacterial abilities showed that the studied synthetic compound had a strong bactericidal effect against all tested bacterial strains, as Gram-negative species were more susceptible to the compound than Gram-positive species. Toxicity results showed that the compound is biocompatible and safe without toxic impact. The molecular docking of the compound showed interactions within the pocket of two enzymes, which are able to stabilize the compound and reveal its antimicrobial activity. Hence, from these results, this study recommends that the established compound could be an outstanding candidate for fighting a broad spectrum of pathogenic bacterial strains, and it might therefore be used for biomedical and pharmaceutical applications.     

有机脲类快速固化环氧粉末涂料的研究

有机脲类化合物一般作为一种有效固化促进剂使用。但作者经大量的实验得出,有机脲类可以单独作为一种优良的快速固化剂,其固化速度快,并且有优良的附着性能。研究结果表明,有机脲类化合物ND作为快速潜伏性环氧树脂固化剂,在环氧粉末涂料中加入4%时,固化温度为180℃,粉料55秒可以完全固化。     

2-(2-羟基-5-氯苯基)-1H-苯并咪唑-铜(Ⅱ)配合物作为NO荧光探针的初探

常温下合成了2-(2-羟基-5-氯苯基)-1H-苯并咪唑荧光化合物和其二价铜离子的配合物,并对配合物的结构和稳定性进行了表征,用荧光光谱、质谱、红外光谱等研究了配合物与NO反应的机理.结果表明,该配合物与NO的反应具有高度的选择性,不受其他常见干扰分子的影响.配合物应用于脂多糖(LPS)激活的小鼠巨噬细胞中NO的测定,能够得到具有较好分辨率的荧光成像结果.     

A New Compound—Nanoline K2Ti8O15

In the product of carbon made from tar oil by plasma pyrogenation, some nanowires, whose diameter is 9~20 nm and whose length is 300 nm were found. The result of X-ray Energy Dispersed Spectrum (EDS) indicated that it is a new compound K2Ti8O15, which has never been reported before. Compared with the corresponding stoichiometry compound K2Ti8O15, it is a non-stoichiometry compound in which two oxygen atoms are absent. It is due to the fact that the intensive deoxidization occured in the experimental process and the valence of titalium is alterable. Its microstructure in detail by high revolution electromicroscopy (HREM) and X-ray diffraction were studied.     

Similarity search profiles as a diagnostic tool for the analysis of virtual screening calculations

An analysis method termed similarity search profiling has been developed to evaluate fingerprint-based virtual screening calculations. The analysis is based on systematic similarity search calculations using multiple template compounds over the entire value range of a similarity coefficient. In graphical representations, numbers of correctly identified hits and other detected database compounds are separately monitored. The resulting profiles make it possible to determine whether a virtual screening trial can in principle succeed for a given compound class, search tool, similarity metric, and selection criterion. As a test case, we have analyzed virtual screening calculations using a recently designed fingerprint on 23 different biological activity classes in a compound source database containing approximately 1.3 million molecules. Based on our predefined selection criteria, we found that virtual screening analysis was successful for 19 of 23 compound classes. Profile analysis also makes it possible to determine compound class-specific similarity threshold values for similarity searching.     

Mass spectrometric identification of an azobenzene derivative produced by smectite-catalyzed conversion of 3-amino-4-hydroxyphenylarsonic acid

The compound 3-amino-4-hydroxyphenylarsonic acid (3-amino-HPAA) reacts with smectite to form a soluble azobenzene arsonic acid compound. This reaction is of particular interest because it provides a possible mechanism for the formation of a new type of arsenic compound in natural water systems. 3-Amino-HPAA is a degradation product excreted by chickens that are fed rations amended with roxarsone. Roxarsone is used to control coccidial intestinal parasites in most of the broiler chickens grown in the United States. The structure of the azobenzene arsonic acid compound was first inferred from negative-ion and positive-ion low-resolution mass-spectrometric analyses of the supernatant of the smectite suspension. Elemental composition of the parent ion determined by high-resolution positive-ion mass spectrometric measurements was consistent with the proposed structure of the azobenzene arsonic acid compound.     

Synthesis of a magnetoactive compound by the interaction of iron(II) sulfate with potassium chromate

A study was made of the effect of synthesis conditions on the properties of a magnetoactive compound obtained by the interaction of iron(II) sulfate with potassium chromate. It was found that, in the formation of the magnetoactive compound, chromium is almost completely coprecipitates with the solid phase. To produce the magnetoactive compound with high relative magnetic susceptibility, it is necessary to precipitate it from the initial solution in no less than 10 min after its preparation at a K₂CrO₄: FeSO₄ molar ratio of 0.16–0.18.     

Photoreaction of benzofuroxan

Benzofuroxan 5 , upon irradiation using a high pressure mercury lamp with a Pyrex filter in acetonitrile containing a little water, afforded 1H-azepine-2,7-dione 6 . The initial stage of this reaction would be formation of a highly reactive intermediate possessing two nitrile oxide functions. On the other hand, when compound 5 was irradiated using a low pressure mercury lamp in acetonitrile containing a little water, it afforded 6H-furazano[4,5-c]carbazole 3-oxide 11 and compound 6 . The structure of compound 11 was determined by an X-ray structural analysis. In the presence of an aromatic hydrocarbon, the formation of compound 11 was decreased and that of compound 6 was increased. Mechanistic studies on the photoreaction suggest that the photosensitized formation of compound 6 with the aromatic hydrocarbon may be carried out by the reabsorption of the fluorescence of it near 365 nm and the presence of it may quench the formation of compound 11 .     

合成昆布氨酸的简单方法

结合当今绿色化学的要求, 采取清洁化的原料与工艺, 利用氨基酸能与氢氧化锌反应生成螯合物的性质, 使Zn2+离子与化合物1的α-氨基、羧基中的氧形成稳定的螯合物, 从而达到保护α-氨基及游离ε-氨基的目的, 再与甲基化试剂作用, 使ε-氨基完全烃基化, 生成三甲基季铵离子, 最后再除去Zn2+离子, 即可制备产率和纯度都较高的白色针状晶体4.     

12-钼磷酸-葡聚糖包合物固容体的光致变色

通过DSC曲线,IR光谱,电子光谱和XRD谱分析,发现12-钼磷酸与葡聚糖在水溶液中可形成黄色包合物。以ESR,XPS,IR和电子光谱等手段研究此黄色包合物在紫外光照射下的光致变蓝紫色,是由于其光电子转移反应产物多价态钼(Ⅵ,Ⅴ,Ⅳ)配合物呈蓝紫色,而另一产物带部分羰基葡聚糖为无色所致。由DSC曲线,电子光谱,IR光谱和XRD谱测试结果得知,随着光化反应产物的生成,两者分子间产生包合作用,从而提高光致变色的稳定性。     

Synthesis of a magnetoactive compound based on iron(II) sulfate

The effect of synthesis parameters on properties of a magnetoactive compound (MAC) prepared via condensation of iron(II) sulfate in the presence of sodium nitrite is investigated. It is found that nitrite ions almost completely coprecipitate with the solid phase during the formation of a magnetoactive compound and subsequently participate in the redox conversions to yield magnetite. In order to obtain a magnetoactive compound with high relative magnetic susceptibility, condensation from the initial solutions is to be carried out at least 15 min after it is prepared; sodium nitrite consumption is to be at least 0.12 mol/mol FeSO₄.     

On the first polyarsenic organic compound from nature: arsenicin A from the New Caledonian marine sponge Echinochalina bargibanti

Reported here is the first polyarsenic compound ever found in nature. Denominated arsenicin A, it was isolated along a bioassay-guided fractionation of the organic extract of the poecilosclerid sponge Echinochalina bargibanti collected from the north-eastern coast of New Caledonia. In defining an adamantine-type polyarsenic structure for this compound, deceptively simple NMR spectra were complemented by extensive mass spectral analysis. However, it was only the synthesis of a model compound that provided the basis to discriminate structure 4 from other spectrally compatible structures for arsenicin A; to this end, a comparative ab initio simulation of IR spectra for the natural and the synthetic compounds was decisive. Arsenicin A is endowed with potent bactericidal and fungicidal activities on human pathogenic strains. All this may revive pharmacological interest in arsenic compounds while prompting us to rethink the arsenic cycle in nature.     

Studies on the synthesis of some dihydropyridine derivatives possessing calcium antagonistic activity

In this study, it is aimed to investigate the synthesis and the calcium antagonistic activity of some flavone derivatives which contain the 1,4-dihydropyridine ring system at the A ring of the flavone nucleus. For this purpose we first synthesized 6-formylflavone and then twelve 1,4-dihydropyridine derivatives were synthesized by the reaction of 6-formylflavone with alkylacetoacetates, acetoacetanilide and methyl or ethyl aminocrotonate. Conformational analysis was performed for compound 3a . The calcium antagonistic activity of compound 2a was examined using nifedipine as the reference compound.     

Potent small-molecule binding to a dynamic hot spot on IL-2

The complexes between IL-2 and two similar small molecules, one a lead compound and the other a potent, affinity-optimized compound, were determined by X-ray crystallography. The lead compound (IC50 = 6 muM) bound to a hot spot on IL-2 in a groove that is not apparent in either the unliganded protein or a complex between IL-2 and a weakly bound drug fragment. The affinity-optimized compound (IC50 = 0.06 muM), which has an added aromatic acid fragment, bound in the same groove as the lead compound. In addition, a novel binding site was formed for the aromatic acid which is unseen in the complex with the lead compound. Thus, the hot spot on IL-2 is highly dynamic, with the protein changing form at multiple sites to maximize packing for each compound. Binding-site rigidity is often thought to play a role in high-affinity interactions. However, in this case, specific contacts between the small molecule and the protein are made despite the adaptivity of the hot spot. Given the change in morphology that was observed in IL-2, it is unlikely that a potent inhibitor could have been found by rational design. Therefore, fragment assembly methods offer the stochastic advantage of finding fragments in flexible protein regions where structural changes are unpredictable.     

Uranyl-alizarin red-s complex.a spectrophotometric study

From spectrochemical studies on the blue complex resulting from uranyl and alizarin-S, it has been shown that a compound in the stoichiometric ratio 1:1 of uranyl and reagent is formed. The compound is stable at pH 8.2. The peaks of absorption of the reagent at 520 mu; and of the uranyl compound at 570 mμ have been accounted for, applying kuhn's relationship.     

耐辐射奇球菌抗辐射物质的研究

本研究分析了耐辐射奇球菌(Deinococcus radiodurans)生长过程中产生的色素物质。紫外照射实验结果表明这种物质具有很强的抗紫外辐射能力。紫外扫描、高压液相测定和显色反应表明这种抗辐射物质含有萜类双键,主要吸收峰在310nm处,保留时间为4．632min,其含量占总量的53．04%,初步确定这种色素物质为类胡萝卜素。