scholarly journals Understanding Conformational Polymorphism in Ganciclovir: A Holistic Approach

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 126-137
Author(s):  
Lorella Spiteri ◽  
Ulrich Baisch ◽  
Liana Vella-Zarb

We present a holistic crystallographic study of the antiviral ganciclovir, including insights into its solid-state behavior, which could prove useful during drug development, making the process more sustainable. A newly developed methodology was used incorporating a combination of statistical and thermodynamic approaches, which can be applied to various crystalline materials. We demonstrate how the chemical environment and orientation of a functional group can affect its accessibility for participation in hydrogen bonding. The difference in the nature and strength of intermolecular contacts between the two anhydrous forms, exposed through full interaction maps and Hirshfeld surfaces, leads to the manifestation of conformational polymorphism. Variations in the intramolecular geometry and intermolecular interactions of both forms of ganciclovir were identified as possible predictors for their relative thermodynamic stability. It was shown through energy frameworks how the extensive supramolecular network of contacts in form I causes a higher level of compactness and lower enthalpy relative to form II. The likelihood of the material to exhibit polymorphism was assessed through a hydrogen bond propensity model, which predicted a high probability associated with the formation of other relatively stable forms. However, this model failed to classify the stability of form I appropriately, suggesting that it might not have fully captured the collective impacts which govern polymorphic stability.

1975 ◽  
Vol 34 (02) ◽  
pp. 426-444 ◽  
Author(s):  
J Kahan ◽  
I Nohén

SummaryIn 4 collaborative trials, involving a varying number of hospital laboratories in the Stockholm area, the coagulation activity of different test materials was estimated with the one-stage prothrombin tests routinely used in the laboratories, viz. Normotest, Simplastin-A and Thrombotest. The test materials included different batches of a lyophilized reference plasma, deep-frozen specimens of diluted and undiluted normal plasmas, and fresh and deep-frozen specimens from patients on long-term oral anticoagulant therapy.Although a close relationship was found between different methods, Simplastin-A gave consistently lower values than Normotest, the difference being proportional to the estimated activity. The discrepancy was of about the same magnitude on all the test materials, and was probably due to a divergence between the manufacturers’ procedures used to set “normal percentage activity”, as well as to a varying ratio of measured activity to plasma concentration. The extent of discrepancy may vary with the batch-to-batch variation of thromboplastin reagents.The close agreement between results obtained on different test materials suggests that the investigated reference plasma could be used to calibrate the examined thromboplastin reagents, and to compare the degree of hypocoagulability estimated by the examined PIVKA-insensitive thromboplastin reagents.The assigned coagulation activity of different batches of the reference plasma agreed closely with experimentally obtained values. The stability of supplied batches was satisfactory as judged from the reproducibility of repeated measurements. The variability of test procedures was approximately the same on different test materials.


Author(s):  
Ю.И. Цой

Задача получения однородного состава ЛКМ сводится к правильному выбору пленкообразователей и соответствующих растворителей и, в случае необходимости, разбавителей и добавок. На основе положений теории растворимости была проведена оценка совместимости компонентов и стабильности таких систем. Критериями оценки были приняты параметры растворимости и термодинамического взаимодействия. Исследовали совместимость алкидных лаков с аминоформальдегидными смолами в бутаноле, и результаты этих исследований представлены в треугольной фазовой диаграмме. Для оценки совместимости смол по результатам расчета параметров термодинамического взаимодействия были построены спинодали для тройных систем. Как показывает анализ результатов проведенных исследований, даже при большой разности ?? = |?12 – ?13| = 0,2 наблюдается небольшая область несовместимости. С уменьшением разности ?? область несовместимости сужается. При ?23 > ?с область несовместимости расширяется как для ? = 0,2, так и для ?? = 0,1 и ?? = 0. Таким образом, для таких систем на совместимость компонентов, в первую очередь, влияет их взаимодействие между собой – чем оно больше, тем лучше они совместимы. Проведенные исследования показали, что парциальные параметры растворимости, учитывающие природу когезионных сил, более объективно характеризуют растворимость пленкообразующих смол в органических растворителях, чем их общий параметр растворимости. Растворимость пленкообразующих алкидных и этерифицированных аминоформальдегидных смол в органических растворителях обусловлена термодинамическим взаимодействием молекулярных сил различной природы. Стабильность смеси алкидной и этерифицированной аминоформальдегидной смолы в бутаноле обусловлена в большей степени термодинамическим взаимодействием молекулярных сил; при этом степень бутанолизации меламиноформальдегидной смолы оказывает наибольшее влияние на стабильность cистемы. Проведенные исследования по стабильности лакокрасочных смесей из различных пленкообразующих смол на основе рассмотренных критериев оценки могут быть использованы для совершенствования технологии защитно-декоративной отделки древесины. The problem of obtaining a homogeneous composition of the coatings is reduced to the proper selection of film-forming agents, and diluent and, if appropriate, diluents and additives. On the basis of the theory of solubility, we have carried out the assessment of the compatibility of the components and stability of such systems. The evaluation criteria were adopted the parameters of the solubility and thermodynamic interaction. Researched the compatibility with alkyd varnishes aminoformaldehyde resin in butanol, and the results of these studies are presented in the triangular phase diagram. To evaluate the compatibility of the resins according to the results of calculation of thermodynamic parameters of interaction were built spinodal for ternary systems. As the analysis of the results of the studies, even when the difference ??|?12 – ?13| = 0,2 there is a small area of incompatibility. With the decrease of the difference ? ? region incompatibility narrows. When ?23> ?с region incompatibility extends to ?? = 0,2, and for ?? = 0.1 and ?? = 0. Thus, for such systems, compatibility of components, primarily, affects their interaction with each other – the further away it is, the better they are compatible. Studies have shown that the partial solubility parameters, which take into account the nature of cohesive forces, more objectively characterize the solubility of film-forming resins in organic solvents than their total solubility parameter. The solubility and film-forming aminoformaldehyde esterified alkyd resins in organic solvents due to thermodynamic interaction of molecular forces of different nature. Тhe stability of the mixture and aminoformaldehyde esterified alkyd resin in butanol is generated largely by thermodynamic forces of molecular interaction; the degree of butanolate melamine-formaldehyde resin has the greatest effect on the stability of the system. Conducted research on the stability of the paint mixtures of various film-forming resins on the basis of the evaluation criteria can be used to improve the technology of protective and decorative wood finish.


Author(s):  
Yong Wang

The purpose of this study is to explore the stability and interaction between parental pressure and social research report, as well as the role of employment status and family income levels in this process. This study used a special study on Korean children (PSKC) 2–4 waves. Use t-test, correlation and autoregressive cross-delay modeling to analyze the data. The main findings of this study are: First, over time, parental pressure and mother’s social research report are consistent. Secondly, the pressure of motherhood and childcare has an obvious lagging effect on upbringing, and vice versa. Third, there is no significant difference between working mothers and non-working mothers in terms of the stability of working parents' pressure, social research report and social research report for children's pressure channels. However, parental pressure can only predict the social research report of working mothers. Fourth, there is no significant difference between the stability and interaction of these two structures in household income levels. In short, the results show that, over time, parental pressure is consistent with mother’s social research report. The results also show that there is a significant cross-lag effect between the mothers’ perceptions of mutual pressure analysis. In the process from parental pressure to social research report, I found the difference between working and non-working mothers. The advantage of this study is that the expected longitudinal design was adopted during infancy and the priority between the two structures can be considered. The results of this study can be used as a source of intervention plans to help parents withstand severe parenting pressure and lack of social research report.


2021 ◽  
Vol 13 (4) ◽  
pp. 793
Author(s):  
Guoqiang Jiao ◽  
Shuli Song ◽  
Qinming Chen ◽  
Chao Huang ◽  
Ke Su ◽  
...  

BeiDou global navigation satellite system (BDS) began to provide positioning, navigation, and timing (PNT) services to global users officially on 31 July, 2020. BDS constellations consist of regional (BDS-2) and global navigation satellites (BDS-3). Due to the difference of modulations and characteristics for the BDS-2 and BDS-3 default civil service signals (B1I/B3I) and the increase of new signals (B1C/B2a) for BDS-3, a systemically bias exists in the receiver-end when receiving and processing BDS-2 and BDS-3 signals, which leads to the inter-system bias (ISB) between BDS-2 and BDS-3 on the receiver side. To fully utilize BDS, the BDS-2 and BDS-3 combined precise time and frequency transfer are investigated considering the effect of the ISB. Four kinds of ISB stochastic models are presented, which are ignoring ISB (ISBNO), estimating ISB as random constant (ISBCV), random walk process (ISBRW), and white noise process (ISBWN). The results demonstrate that the datum of receiver clock offsets can be unified and the ISB deduced datum confusion can be avoided by estimating the ISB. The ISBCV and ISBRW models are superior to ISBWN. For the BDS-2 and BDS-3 combined precise time and frequency transfer using ISBNO, ISBCV, ISBRW, and ISBWN, the stability of clock differences of old signals can be enhanced by 20.18%, 23.89%, 23.96%, and 11.46% over BDS-2-only, respectively. For new signals, the enhancements are −50.77%, 20.22%, 17.53%, and −3.69%, respectively. Moreover, ISBCV and ISBRW models have the better frequency transfer stability. Consequently, we recommended the optimal ISBCV or suboptimal ISBRW model for BDS-2 and BDS-3 combined precise time and frequency transfer when processing the old as well as the new signals.


Author(s):  
Harald Fripertinger ◽  
Jens Schwaiger

AbstractIt was proved in Forti and Schwaiger (C R Math Acad Sci Soc R Can 11(6):215–220, 1989), Schwaiger (Aequ Math 35:120–121, 1988) and with different methods in Schwaiger (Developments in functional equations and related topics. Selected papers based on the presentations at the 16th international conference on functional equations and inequalities, ICFEI, Bȩdlewo, Poland, May 17–23, 2015, Springer, Cham, pp 275–295, 2017) that under the assumption that every function defined on suitable abelian semigroups with values in a normed space such that the norm of its Cauchy difference is bounded by a constant (function) is close to some additive function, i.e., the norm of the difference between the given function and that additive function is also bounded by a constant, the normed space must necessarily be complete. By Schwaiger (Ann Math Sil 34:151–163, 2020) this is also true in the non-archimedean case. Here we discuss the situation when the bound is a suitable non-constant function.


2014 ◽  
Vol 887-888 ◽  
pp. 1328-1332
Author(s):  
Wang Biao Qiu ◽  
Wei Xing Chen

The article based on different frequency pulse equiponderance electromagnetic destressing comparison experiment, using vertical optical measurement to survey the changes of bearing ferrules size, study the difference between the effect of different frequency electromagnetic in removing residual stress, find the frequency of magnetic treatment pulse that help to maintain the stability of the thin-wall bearing collars' size, effectively improve the cycle of bearing ferrules process .


2009 ◽  
Vol 76-78 ◽  
pp. 459-464
Author(s):  
Jae Won Baik ◽  
Chang Wook Kang

Chemical mechanical polishing (CMP) is a technique used in semiconductor fabrication for planarizing the top surface of an in-process semiconductor wafer. Especially, Post-CMP thickness variations are known to have a severe impact on the stability of downstream processes and ultimately on device yield. Hence understanding how to quantify and characterize this non-uniformity is significant step towards statistical process control to achieve higher quality and enhanced productivity. The main reason is that the non-uniformed interface between the wafer and the machine-pad adversely affects the polishing performance and ultimate surface uniformity. The purpose of this paper is to suggest a new measure that estimates the uniformity of wafer surface considering the difference of the amount of abrasion between the center and the edge. This new measure which is called the Coefficient of Uniformity is defined as the following ratio: Geometric Mean (GM) / Arithmetic Mean (AM). This metric can be evaluated regionally to quantify the non-uniformity on the wafer surface from the center to the edge. Further simulations show that this new measure is insensitive to shift of the wafer center and sensitive to shift of the wafer edge. This trend indicates that this new measure is a very useful to test the non-uniformity of wafer after CMP polishing.


1996 ◽  
Vol 56 (2) ◽  
pp. 285-306 ◽  
Author(s):  
M. S. Ruderman ◽  
E. Verwichte ◽  
R. Erdélyi ◽  
M. Goossens

The stability of the MHD tangential discontinuity is studied in compressible plasmas in the presence of anisotropic viscosity and thermal conductivity. The general dispersion equation is derived, and solutions to this dispersion equation and stability criteria are obtained for the limiting cases of incompressible and cold plasmas. In these two limiting cases the effect of thermal conductivity vanishes, and the solutions are only influenced by viscosity. The stability criteria for viscous plasmas are compared with those for ideal plasmas, where stability is determined by the Kelvin—Helmholtz velocity VKH as a threshold for the difference in the equilibrium velocities. Viscosity turns out to have a destabilizing influence when the viscosity coefficient takes different values at the two sides of the discontinuity. Viscosity lowers the threshold velocity V below the ideal Kelvin—Helmholtz velocity VKH, so that there is a range of velocities between V and VKH where the overstability is of a dissipative nature.


Actuators ◽  
2021 ◽  
Vol 10 (1) ◽  
pp. 9
Author(s):  
Taehoon Lee ◽  
Inwoo Kim ◽  
Yoon Su Baek

Lower limb exoskeleton robots help with walking movements through mechanical force, by identifying the wearer’s walking intention. When the exoskeleton robot is lightweight and comfortable to wear, the stability of walking increases, and energy can be used efficiently. However, because it is difficult to implement the complex anatomical movements of the human body, most are designed simply. Due to this, misalignment between the human and robot movement causes the wearer to feel uncomfortable, and the stability of walking is reduced. In this paper, we developed a two degrees of freedom (2DoF) ankle exoskeleton robot with a subtalar joint and a talocrural joint, applying a four-bar linkage to realize the anatomical movement of a simple 1DoF structure mainly used for ankles. However, bidirectional tendon-driven actuators (BTDAs) do not consider the difference in a length change of both cables due to dorsiflexion (DF) and plantar flexion (PF) during walking, causing misalignment. To solve this problem, a BTDA was developed by considering the length change of both cables. Cable-driven actuators and exoskeleton robot systems create uncertainty. Accordingly, adaptive control was performed with a proportional-integral-differential neural network (PIDNN) controller to minimize system uncertainty.


2016 ◽  
Vol 7 (2) ◽  
pp. 208-214
Author(s):  
P. Chemineau

The future livestock systems at the world level will have to produce more in the perspective of the population increase in the next 30 years, whereas reducing their environmental footprint and addressing societal concerns. In that perspective, we may wonder if animal health and animal welfare, which are two essential components of production systems, may play an important role in the stability of the three pillars of sustainability of the livestock systems. We already know that objectives driven by economy, environment and society may modify animal welfare and animal health, but is the reverse true? The answer is yes and in 11 cases out of 12 of the matrix health-welfare×3 pillars of sustainability×positive or negative change, we have many examples indicating that animal health and animal welfare are able to modify, positively or negatively, the three pillars of sustainability. Moreover, we also have good examples of strong interactions between health and welfare. These elements play in favour of an holistic approach at the farm level and of a multicriterial definition of what could be the sustainable systems of animal production in the future which will respect animal welfare and maintain a good animal health.


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