Atomistic modeling of dopant segregation in α-alumina ceramics: Coverage dependent energy of segregation and nominal dopant solubility

Microstructural control is a key aspect in producing ceramics with tailored properties and is often achieved by using dopants in a rather empirical fashion. Atomic scale simulations could provide much needed insight but the long-standing challenge of linking simulation results on isolated grain boundaries to those measured in real ceramics needs to be resolved. Here a novel Monte-Carlo simulation method based on a microstructural model in combination with energies obtained from atomic scale energy minimization is presented. This approach allows, for the first time, the prediction of the nominal solubility of dopants (Y, La and Mg) in a ceramic purely from theory.Results compare well with segregation/precipitation data as a function of grain size, found in the literature. The method can therefore be used in developing experimental guidelines for the effective use of dopants in ceramic production, thus accelerating the development of novel materials required for innovative applications.     

具有光学活性高性能高分子材料的研究进展

旋光性聚合物可以使通过它的偏振光发生偏转,在手性识别和对映体拆分、手性催化剂、液晶、生物医药、光学开关和非线性光学等领域展现出良好的应用前景。本文综述了几种利用旋光性单体缩聚合成具有光学活性高分子材料的方法,对所得聚合物的热稳定性、可溶性、旋光性等主要性能进行分析比较,得到一系列重要的结论,并对其影响机理进行讨论。在此...     

基于L-丙氨酸的手性聚酰胺酰亚胺的合成与表征

通过L-丙氨酸与均苯四甲酸二酐的缩合反应得到手性酰亚胺,再与二苯基甲烷二异氰酸酯（MDI）聚合制备出基于L-丙氨酸的手性聚酰胺酰亚胺。用傅立叶红外光谱仪（FT-IR）,核磁共振（1H-NMR）表征了聚合物的结构。用差示扫描量热法（DSC）和热重分析（TG）研究了共聚物的结晶性能和热稳定性,同时对聚合物的溶解性能进行了探...     

聚芳硫醚酮酰胺树脂的合成与表征

通过合成4,4'-二苯基硫醚二甲酰氯(TDC),将其与4,4-'(对胺基笨基硫醚)二苯甲酮(BAPK)进行低温溶液缩聚,制备了聚芳硫醚酮酰胺(PASKA),通过红外、核磁、元素分析证实了其化学结构;采用DSC,TGA等手段对PASKA的热性能进行了表征,结果表明PASKA具有优良的热性能,同时表明它为无定形聚合物;溶解...     

Determination of Solvent Systems for Blade Coating Thin Film Photovoltaics

With lab‐scale solution‐processed thin film photovoltaic (TFPV) devices attaining market relevant efficiencies, the demand for environmentally friendly and scalable deposition techniques is increasing. Replacing toxic halogenated solvents is a priority for the industrialization of solution‐processed TFPV. In this work, a generalized five‐step process is presented for fabricating high‐performance devices from nonhalogenated inks. Resulting from this process, several new solvent systems are introduced based on thiophene, tetralin, 1,2,4‐trimethylbenzene, o‐xylene, and anisole for blade coating of three different diketopyrrolopyrrole‐based (pDPP5T‐2, pPDPP5T‐2S, and P390) bulk heterojunctions applied in organic photovoltaic devices. Devices based on pDPP5T‐2S and P390 attain 5.6% and 6.1% efficiency, respectively, greater than the efficiency either material reached when processed from the halogenated solvent system commonly used. These processes are implemented without post‐deposition annealing treatments or additives. The Hansen solubility parameters of the pDPP5T‐2 material are obtained, and are used, along with wettability data on a variety of substrates, to determine optimum solvent combinations and ratios for deposition. This generalized five‐step process results in new nonhalogenated solvent pathways for the scalable deposition of thin film photovoltaic materials.     

Classification of solid dispersions: correlation to (i) stability and solubility (ii) preparation and characterization techniques

Solid dispersion has been a topic of interest in recent years for its potential in improving oral bioavailability, especially for poorly water soluble drugs where dissolution could be the rate-limiting step of oral absorption. Understanding the physical state of the drug and polymers in solid dispersions is essential as it influences both the stability and solubility of these systems. This review emphasizes on the classification of solid dispersions based on the physical states of drug and polymer. Based on this classification, stability aspects such as crystallization tendency, glass transition temperature (T_g), drug polymer miscibility, molecular mobility, etc. and solubility aspects have been discussed. In addition, preparation and characterization methods for binary solid dispersions based on the classification have also been discussed.     

Solubility and dissolution enhancement strategies: current understanding and recent trends

Identification of lead compounds with higher molecular weight and lower aqueous solubility has become increasingly prevalent with the advent of high throughput screening. Poor aqueous solubility of these lipophilic compounds can drastically affect the dissolution rate and subsequently the drug absorbed in the systemic circulation, imposing a significant burden of time and money during drug development process. Various pre-formulation and formulation strategies have been applied in the past that can improve the aqueous solubility of lipophilic compounds by manipulating either the crystal lattice properties or the activity coefficient of a solute in solution or both, if possible. However, despite various strategies available in the armor of formulation scientist, solubility issue still remains an overriding problem in the drug development process. It is perhaps due to the insufficient conceptual understanding of solubility and dissolution phenomenon that hinders the judgment in selecting suitable strategy for improving aqueous solubility and/or dissolution rate. This article, therefore, focuses on (i) revisiting the theoretical and mathematical concepts associated with solubility and dissolution, (ii) their application in making rationale decision for selecting suitable pre-formulation and formulation strategies and (iii) the relevant research performed in this field in past decade.     

Melt dispersion granules: formulation and evaluation to improve oral delivery of poorly soluble drugs – a case study with valsartan

Solid dispersion (SD) technique is a promising strategy to improve the solubility and dissolution of BCS class II drugs. However, only few products are marketed till today based on SD technology due to poor flow properties and stability. The present work was intended to solve these problems by using combination approach, melt dispersion and surface adsorption technologies. The main aim of the present work is to improve the absorption in the stomach (at lower pH) where the absorption window exists for the drug by improving the dissolution, resulting in the enhancement of oral bioavailability of poorly soluble, weakly acidic drug with pH dependant solubility, i.e. valsartan. Melt dispersion granules were prepared in different ratios using different carriers (Gelucire 50/13, PEG 8000 and Pluronic F-68) and lactose as an adsorbent. Similarly, physical mixtures were also prepared at corresponding ratios. The prepared dispersion granules and physical mixtures were characterized by FTIR, DSC and in vitro dissolution studies. DSC studies revealed reduction in the crystallinity with a possibility of presence of amorphous character of drug in the dispersion granules. From dissolution studies, valsartan Gelucire dispersion (GSD4; 1:4 ratio) showed complete drug release in 30?min against the plain drug which showed only 11.31% of drug release in 30?min. Pharmacokinetic studies of optimized formulation in male Wistar rats showed 2.65-fold higher bioavailability and 1.47-fold higher C_max compared to pure drug. The melt dispersion technology has the potential to improve dissolution and the bioavailability of BCS class II drugs.     

Formulation and pharmacokinetics of gelucire solid dispersions of flurbiprofen

Context: Development of solid dispersions is to improve the therapeutic efficacy by increasing the drug solubility, dissolution rate, bioavailability as well as to attain rapid onset of action.

Objective: The present research deals with the development of solid dispersions of flurbiprofen which is poorly water soluble to improve the solubility and dissolution rate using gelucires.

Materials and methods: In this study, solid dispersions were prepared following solvent evaporation method using gelucire 44/14 and gelucire 50/13 as carriers in different ratios. Then the formulations were evaluated for different physical parameters, solubility studies, DSC, FTIR studies and in vitro dissolution studies to select the best formulation that shows rapid dissolution rate and finally subjected to pharmacokinetic studies.

Results and discussion: From the in vitro dissolution study, formulation F3 showed the better improvement in solubility and dissolution rate. From the pharmacokinetic evaluation, the control tablets produced peak plasma concentration (C_max) of 9140.84?±?614.36?ng/ml at 3?h T_max and solid dispersion tablets showed C_max?=?11?445.46?±?149.23?ng/ml at 2?h T_max. The area under the curve for the control and solid dispersion tablets was 31?495.16?±?619.92 and 43?126.52?±?688.89?ng h/ml and the mean resident time was 3.99 and 3.68?h, respectively.

Conclusion: From the above results, it is concluded that the formulation of gelucire 44/14 solid dispersions is able to improve the solubility, dissolution rate as well as the absorption rate of flurbiprofen than pure form of drug.     

SYNTHESIS OF POLYELECTROLYTIC POLYACETYLENE DERIVATIVES BY QUATERNIZATION OF POLY(PYRIDYLACETYLENE)

Functional polyacetylenes containing pyridinium side groups (PPyA-MX, X = Br and I) were successfully synthesized. Spectroscopic techniques such as 1H-NMR, 13C-NMR, and FTIR spectroscopy were used to characterize the structure of the obtained polymers. The characterization data were well consistent with the expected macromolecular structures. PPyA-MI had good solubility in polar organic solvents and low solubility in water, while PPyA-MBr had good solubility in both polar organic solvents and water.