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41.
Micha Kosno Tomasz Laskowski Joanna E. Frackowiak Agnieszka Potga Agnieszka Kurdyn Witold Andraoj Julia Borzyszkowska-Bukowska Katarzyna Szwarc-Karabyka Zofia Mazerska 《Molecules (Basel, Switzerland)》2022,27(13)
Unsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic transformations in vitro and in tumor cells. However, the physicochemical properties of UAs, which could possibly affect their interactions with molecular targets, remain unknown. Therefore, we selected four highly active UAs for the assessment of physicochemical parameters under various pH conditions. We determined the compounds’ pKa dissociation constants as well as their potential to self-associate. Both parameters were determined by detailed and complex chemometric analysis of UV-Vis spectra supported by nuclear magnetic resonance (NMR) spectroscopy. The obtained results indicate that general molecular properties of UAs in aqueous media, including their protonation state, self-association ratio, and solubility, are strongly pH-dependent, particularly in the physiological pH range of 6 to 8. In conclusion, we describe the detailed physicochemical characteristics of UAs, which might contribute to their selectivity towards tumour cells as opposed to their effect on normal cells. 相似文献
42.
沈海军 《原子与分子物理学报》2006,23(4):621-625
采用RHF水平的AM1半经验量子化学方法,计算了线性4C60富勒烯聚合体、花生壳状4C60富勒烯聚合体,以及C240纳米碳管等三种C240异构体分子的几何构型、电子结构、分子能量,以及疏水常数LogP、极化率、偶极矩等物理化学特性,讨论了三种C240异构体分子的几何构型、前线分子轨道及能级、净电荷分布与静电势、分子能量等特性的差异.研究表明,三种C240分子的生成均为吸热,它们的稳定性依次排序为:C240纳米碳管>花生壳状4C60>线性4C60. 相似文献
43.
为了合理利用哈密煤温和液化固体产物(MLS),对MLS的理化性质进行了考察,并利用热重分析技术研究了MLS及其萃取组分的热解特性和各萃取组分在热解过程中的相互作用。结果表明,相比于神华煤直接液化残渣,MLS中重质油含量较高(HS,36%),沥青烯(A,13%)、前沥青烯(PA,9%)含量较低。GC-MS结果表明,HS中烷烃含量较高(41.8%)。红外结果表明,HS中含较多烷烃侧链和取代官能团,A、PA次之,而四氢呋喃不溶物(THFIS)中基本不存在,表明其芳香性较高。MLS中的矿物质主要有液化过程生成的CaCO_3、原煤中的惰性组分SiO_2、NaCl、Al_2O_3·2SiO_2·2H_2O和残留的催化剂转化产物Fe_(1-x)S。热重结果表明,MLS起始热解温度和最大失重峰温均偏低,950℃失重率较高(54%),说明其热解活性较高。MLS各萃取组分在热解过程中存在正负两种相互作用,且与MLS中HS含量有关:当HS含量较高时,HS为MLS热解过程提供小分子自由基以促进挥发分逸出;当脱除部分HS或将HS全部脱除后,MLS各萃取组分中大分子自由基之间相互结合而抑制挥发分逸出。 相似文献
44.
Neutral chelates of 3,4-diphenyl-5-mercapto-l,2,4-triazole (DPMTH) with Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and
Hg(II) have been prepared and characterized by analytical and physicochemical techniques such as magnetic susceptibility measurements,
TGA, electronic ESR and IR spectral studies. The IR data suggest that DPMTH behaves as a uninegative bidentate ligand in all
the complexes except Fe(II) and Ni(II) where it is tridentate. The complexes have been found to display significant antifugal
activity againstA. ahernata andA. flavus. 相似文献
45.
A. V. Barabanova P. V. Afanas'ev B. G. Kostyuk V. V. Lunin 《Russian Chemical Bulletin》1996,45(12):2698-2702
Phosphates of K and Zr of a layered, microporous structure have been obtained by the molten salt method in a potassium nitrate medium in the temperatures range 573–823 K. Dependences of the product composition on the P/Zr atomic ratio and the temperature of synthesis were studied. The substances obtained have been characterized by XRD,1H and31P NMR, and IR spectroscopy, and scanning electron microscopy.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2847–2851, December, 1996. 相似文献
46.
This article discusses the extraction and characterization of new natural fiber extracted from red coconut empty fruit bunch. The physicochemical, mechanical, and thermal properties of alkali-treated red coconut empty fruit bunch fibers (ARCEFBFs) were reported and compared with other natural fibers for the first time. Cellulose content (65.02 wt%), wax (0.32 wt%), density (1.421 g/cc), and tensile strength (1299.49 MPa) were identified in ARCEFBFs. Fourier transform infrared spectroscopy and X-ray diffraction analysis confirmed that ARCEFBFs are rich in cellulose content with crystallinity index of 53.6%. Thermogravimetric analysis revealed that these fibers are thermally stable until 270.48°C. 相似文献
47.
Filip Ciesielczyk Karolina Szwarc‐Rzepka Teofil Jesionowski 《Surface and interface analysis : SIA》2013,45(6):998-1007
Preparation of a new group of hybrid fillers, of SiO2/silane/oligomeric silsesquioxane type, characterised by specific desirable physicochemical properties, was studied. Synthetic SiO2 was precipitated by the emulsion method. At first, as a result of improved adhesion between SiO2 and selected POSS compound, SiO2 surface was functionalised with alkoxysilanes containing characteristics functional groups. Functionalised SiO2 was used in the process of hybrid filler preparation according to hydrolytic condensation using methacryl POSS® mixture. To evaluate potential application of such fillers, SiO2 systems, bifunctionalised using innovative method, were thoroughly characterised to determine their physicochemical properties as well as the effectiveness of functionalisation with silanes and POSS compound. Proposed method of SiO2 surface modification using selected alkoxysilanes and oligosilsesquioxanes is innovative and gives very promising results. Bifunctionalisation of inorganic fillers with those compounds will substantially extended the range of their applications and probably will lead to improvement of mechanical properties of final polymer composites and reduction in the cost of their production which is the main feature of this research. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
48.
周义仓 《数学建模及其应用》2013,2(1):60-66
根据评卷过程中收集到的信息对2012年全国大学生数学建模竞赛的“葡萄酒的评价”问题进行分析,展示了一些较好的模型和结果,并针对答卷中反映的问题提出一些建议。 相似文献
49.
50.
Buchi N. Nalluri K.P.R. Chowdary K.V.R. Murthy V. Satyanarayana A.R. Hayman G. Becket 《Journal of inclusion phenomena and macrocyclic chemistry》2005,53(1-2):103-110
The purpose of the work is physicochemical characterization of nimesulide (NI) and meloxicam (ME)–hydroxypropyl-β-cyclodextrin
(HP-β-CD) binary systems both in solution and solid states and to improve the pharmaceutical properties of NI and ME via inclusion
complexation with HP-β-CD. Binary systems of NI and ME with HP-β-CD have been characterized both in solution and solid state
by different physicochemical methods. Three types of drug–HP-β-CD binary systems, namely physical mixtures (PM), kneaded systems
(KS) and co evaporated systems (CS) in 1:1 and 1:2 molar ratios (1:1 and 1:2 M) were prepared. Phase solubility and 1H-NMR spectroscopic studies in solution state revealed 1:1 M complexation of NI and ME with HP-β-CD. A partial inclusion of
NI with HP-β-CD at both molar ratios of kneaded and co evaporated systems and a true inclusion of ME with HP-β-CD at both
molar ratios of co evaporated systems in solid state was confirmed by differential scanning calorimetry (DSC), powder X-ray
diffractometry (powder X-RD) and scanning electron microscopy (SEM) studies. Dissolution properties of NI and ME–HP-β-CD binary
systems were superior when compared to corresponding pure drugs. The aqueous solubility and dissolution properties of NI and
ME can be improved by inclusion complexation with HP-β-CD.
Author for correspondence: E-mail: nbnaid2@E-mail.uky.edu 相似文献