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1.
W. Gołkiewicz 《Chromatographia》1986,21(5):259-264
Summary Equations describing multi-step gradient elution with a mobile phase of constant composition in each step were derived. These
equations useful for calculating the retention volumes in both gradient HPLC and TLC were derived on the basis of the relationship
between the isocratic capacity factor and the volume fraction of the organic modifier. The validity of the equations was experimentally
verified in a LiChrosorbRP-18-water/methanol system for 11 methyl- and chlorobenzenes and phenols. A satisfactory agreement
between the theoretical and experimental k′ values was found. 相似文献
2.
3.
Modelling the thermal behaviour of carboxylic acid derivatives with cylcodextrins in the solid-state
Agotonovic-Kustrin S. Glass B. D. Brown M. E. Rotich M. K. 《Journal of Thermal Analysis and Calorimetry》2004,77(2):391-402
The application of classical QSAR and molecular modelling to the inclusion complexation of natural and modified cyclodextrins
(CDs) with carboxylic acid derivatives as guest molecules was examined. Information was available on the thermal behaviour,
in the solid-state of benzoic acid (BA), salicylic acid (SA), and various substituted aminosalicylic acids (3-aminosalicylic
acid, 3-ASA, 4-aminosalicylic acid, 4-ASA and 5-aminosalicylic acid, 5-ASA), as well as on the thermal behaviour of 1:1 molar
ratio physical and kneaded mixtures of these acids with each of three different cyclodextrins, β-, (BCD) 2-hydroxypropyl-β-,
(HPBCD) and γ-cyclodextrin (GCD). The thermal behaviour of the binary (1:1 stoichiometry) mixtures was modelled using stepwise
multiple regression (SMR). Two models for the prediction of the percentage mass loss and enthalpy of dehydration of the physical
mixtures were established with correlation coefficients (r) of 0.79 and 0.92, respectively. Decreased correlation in the thermal behaviour of kneaded mixtures indicated significant
interaction and possible formation of inclusion complexes.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
4.
Successive stepwise evolution of host layer‐stacking framework upon the intercalation of mobile vapor guests within side‐chain layers
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Bei‐Kai Yang Chen‐An Wang Wen‐Yan Zhang Jrjeng Ruan 《Journal of Polymer Science.Polymer Physics》2017,55(19):1448-1457
For the ordered phases of hairy‐rod semiconductive poly(2,5‐bis(3‐tetradecylthiophene‐2‐yl)thieno[3,2‐b]thiophene) (PBTTT) sandwiched in between crystalline platelets of hexamethylbenzene, the successive stepwise evolution of layer‐stacking framework upon guest intercalation has been studied in this research. The direct consequence of the guest intercalation into side‐chain layers is evaluated to cause the lateral shift of thiophene backbones along π–π stacking, resulting in stepwise shift of ultraviolet absorption wavelength. The thermal motions of vapor guests within disordering side‐chain layers subsequently cause progressive expansion of host stacking framework. With the increase in side‐chain length, thicker layers of disordering side chains in liquid crystals (LCs) accommodate additional vapor guests and larger amplitudes of thermal motions of guests, hence promoting the level of reversible d‐spacing change. The mixing between mobile vapor guests and aliphatic side chains is clarified as the mechanism of guest intercalation, which rationalizes successive guest intercalation during heating and the contribution of disordering side‐chain layers. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55, 1448–1456 相似文献
5.
在少量水的存在下,由于 NH4[CuCl3]对水不稳定,CuCl2·2H2O 与氯化铵的配位化学反应只能得到 1:2 产物(NH4)2[CuCl4(H2O)2];但在无水乙醇中,无水 CuCl2与氯化铵按 1:1或 1:2的物质的量之比混合时,能相应地得到 NH4[CuCl3]或(NH4)2[CuCl4]。CuCl2·2H2O与 2,2''-联吡啶(bipy)的少溶剂固态化学反应仍能像固态化学反应一样,根据反应物的配比生成相应的唯一产物,但在物质的量之比为1:1的反应中发现1:2产物曾经形成。热力学分析说明,如果连串反应的后一步的ΔrG⊖大于前一步的,则上述反应现象是可能的。 相似文献
6.
Mingjie Wen Xiru Cao Yongqi Zhang Meng Liang Tianlei Zhang Balaganesh Muthiah Ke Zhou Soumendra K. Roy Makroni Lily 《International journal of quantum chemistry》2020,120(23):e26389
A detailed theoretical study on the reaction mechanisms for the formations of H2O2 + 3O2 from the self-reaction of HO2 radicals under the effect of NH3, H3N···H2O, and H2SO4 catalysts was performed using the CCSD(T)/CBS//M06-2X/aug-cc-pVTZ method. The rate constant was computed using canonical variational transition state theory (CVT) with small curvature tunneling (SCT). Our results indicate that NH3-, H3N···H2O-, and H2SO4-catalyzed reactions could proceed through both one-step and stepwise routes. Calculated rate constants show that the catalyzed routes in the presence of the three catalysts all prefer stepwise pathways. Compared to the catalytic efficiency of H2O, the efficiencies of NH3, H3N···H2O, and H2SO4 are much lower due to their smaller relative concentrations. The present results have provided a definitive example of how basic and acidic catalysts influence the atmospheric reaction of HO2 + HO2 → H2O2 + 3O2. These results further encourage one to consider the effects of basic and acidic catalysts on the related atmospheric reactions. Thus, the present investigation should have broad implications in the gas-phase reactions of the atmosphere. 相似文献
7.
Model-Based Optimization of a Fed-Batch Bioreactor for mAb Production Using a Hybridoma Cell Culture
Gheorghe Maria 《Molecules (Basel, Switzerland)》2020,25(23)
Production of monoclonal antibodies (mAbs) is a well-known method used to synthesize a large number of identical antibodies, which are molecules of huge importance in medicine. Due to such reasons, intense efforts have been invested to maximize the mAbs production in bioreactors with hybridoma cell cultures. However, the optimal control of such sensitive bioreactors is an engineering problem difficult to solve due to the large number of state-variables with highly nonlinear dynamics, which often translates into a non-convex optimization problem that involves a significant number of decision (control) variables. Based on an adequate kinetic model adopted from the literature, this paper focuses on developing an in-silico (model-based, offline) numerical analysis of a fed-batch bioreactor (FBR) with an immobilized hybridoma culture to determine its optimal feeding policy by considering a small number of control variables, thus ensuring maximization of mAbs production. The obtained time stepwise optimal feeding policies of FBR were proven to obtain better performances than those of simple batch operation (BR) for all the verified alternatives in terms of raw material consumption and mAbs productivity. Several elements of novelty (i–iv) are pointed out in the “conclusions” section (e.g., considering the continuously added biomass as a control variable during FBR). 相似文献
8.
油菜叶片的光谱特征与叶绿素含量之间的关系研究 总被引:7,自引:1,他引:6
叶绿素是作物生长中的重要因素,是植物营养胁迫、光合作用能力和生长状况的良好指示剂。实时、可靠的作物营养诊断是进行科学施肥管理的基础,也是实践精细农业的关键技术之一。采用便携式可见-近红外光谱仪,在室外自然光照条件下对不同氮肥水平下油菜叶片的光谱特性进行了研究,并根据作物特有的光谱特征,采用逐步回归分析方法建立了油菜叶片的叶绿素含量与红边位置和绿峰位置之间的定量分析模型。结果表明,将红边位置、绿峰位置二者作为自变量时,建立的模型效果优于采用单一的红边位置为自变量时建立的模型效果。其相关系数分别为0.863和0.848;校正标准偏差SEC分别为5.273和5.459, 说明采用红边位置和绿峰位置这两个参数更能很好地预测叶片的叶绿素含量。 相似文献
9.
10.