Current State-of-the-art In-house and Cloud-Based Applications of Virtual Polymorph Screening of Pharmaceutical Compounds: A Challenging Case of AZD1305

2021 ◽  
Author(s):  
GuangXu Sun ◽  
Xuetao Liu ◽  
Yuriy A. Abramov ◽  
Sten O. Nilsson Lill ◽  
Chao Chang ◽  
...  
Keyword(s):  
State Of The Art ◽  
Pharmaceutical Compounds ◽  
Current State ◽  
Polymorph Screening

scholarly journals Overview of Sample Preparation and Chromatographic Methods to Analysis Pharmaceutical Active Compounds in Waters Matrices

Separations ◽  
2021 ◽  
Vol 8 (2) ◽  
pp. 16
Author(s):  
Cristina M. M. Almeida
Keyword(s):  
Sample Preparation ◽  
Water Cycle ◽  
State Of The Art ◽  
Pharmaceutical Compounds ◽  
Soil Environment ◽  
Extraction Techniques ◽  
Active Compounds ◽  
Preparation Methods ◽  
Current State ◽  
Potential Impact

In the environment, pharmaceutical residues are a field of particular interest due to the adverse effects to either human health or aquatic and soil environment. Because of the diversity of these compounds, at least 3000 substances were identified and categorized into 49 different therapeutic classes, and several actions are urgently required at multiple steps, the main ones: (i) occurrence studies of pharmaceutical active compounds (PhACs) in the water cycle; (ii) the analysis of the potential impact of their introduction into the aquatic environment; (iii) the removal/degradation of the pharmaceutical compounds; and, (iv) the development of more sensible and selective analytical methods to their monitorization. This review aims to present the current state-of-the-art sample preparation methods and chromatographic analysis applied to the study of PhACs in water matrices by pinpointing their advantages and drawbacks. Because it is almost impossible to be comprehensive in all PhACs, instruments, extraction techniques, and applications, this overview focuses on works that were published in the last ten years, mainly those applicable to water matrices.

Behavioral Genetics: Concepts for Research and Practice in Language Development and Disorders

1995 ◽  
Vol 38 (5) ◽  
pp. 1126-1142 ◽  
Author(s):  
Jeffrey W. Gilger
Keyword(s):  
Language Development ◽  
Behavioral Genetics ◽  
State Of The Art ◽  
Genetic Research ◽  
Great Promise ◽  
Behavioral Genetic ◽  
Fine Grained ◽  
Future Goals ◽  
Current State ◽  
Research Designs

This paper is an introduction to behavioral genetics for researchers and practioners in language development and disorders. The specific aims are to illustrate some essential concepts and to show how behavioral genetic research can be applied to the language sciences. Past genetic research on language-related traits has tended to focus on simple etiology (i.e., the heritability or familiality of language skills). The current state of the art, however, suggests that great promise lies in addressing more complex questions through behavioral genetic paradigms. In terms of future goals it is suggested that: (a) more behavioral genetic work of all types should be done—including replications and expansions of preliminary studies already in print; (b) work should focus on fine-grained, theory-based phenotypes with research designs that can address complex questions in language development; and (c) work in this area should utilize a variety of samples and methods (e.g., twin and family samples, heritability and segregation analyses, linkage and association tests, etc.).

Schizophrenia Research: Current State of the Art

1976 ◽  
Vol 21 (7) ◽  
pp. 497-498
Author(s):  
STANLEY GRAND
Keyword(s):  
State Of The Art ◽  
Current State

Umbral Calculus

10.37236/24 ◽  
2002 ◽  
Vol 1000 ◽  
Author(s):  
A. Di Bucchianico ◽  
D. Loeb
Keyword(s):  
19Th Century ◽  
Finite Differences ◽  
State Of The Art ◽  
Umbral Calculus ◽  
Current State ◽  
Logical Foundation ◽  
Complete Bibliography ◽  
The 19Th Century ◽  
Mathematical Literature

We survey the mathematical literature on umbral calculus (otherwise known as the calculus of finite differences) from its roots in the 19th century (and earlier) as a set of “magic rules” for lowering and raising indices, through its rebirth in the 1970’s as Rota’s school set it on a firm logical foundation using operator methods, to the current state of the art with numerous generalizations and applications. The survey itself is complemented by a fairly complete bibliography (over 500 references) which we expect to update regularly.

The Receptor-Dependent QSAR Paradigm: An Overview of the Current State of the Art

2009 ◽  
Vol 5 (4) ◽  
pp. 359-366 ◽  
Author(s):  
Osvaldo Santos-Filho ◽  
Anton Hopfinger ◽  
Artem Cherkasov ◽  
Ricardo de Alencastro
Keyword(s):  
State Of The Art ◽  
Current State

scholarly journals Smoothing additive manufactured parts using ns-pulsed laser radiation

2021 ◽  
Author(s):  
Florian Kuisat ◽  
Fernando Lasagni ◽  
Andrés Fabián Lasagni
Keyword(s):  
Surface Roughness ◽  
Mechanical Performance ◽  
State Of The Art ◽  
Pulsed Laser ◽  
Industrial Applications ◽  
Laser Source ◽  
Pulsed Laser Radiation ◽  
Current State ◽  
The Impact

AbstractIt is well known that the surface topography of a part can affect its mechanical performance, which is typical in additive manufacturing. In this context, we report about the surface modification of additive manufactured components made of Titanium 64 (Ti64) and Scalmalloy®, using a pulsed laser, with the aim of reducing their surface roughness. In our experiments, a nanosecond-pulsed infrared laser source with variable pulse durations between 8 and 200 ns was applied. The impact of varying a large number of parameters on the surface quality of the smoothed areas was investigated. The results demonstrated a reduction of surface roughness Sa by more than 80% for Titanium 64 and by 65% for Scalmalloy® samples. This allows to extend the applicability of additive manufactured components beyond the current state of the art and break new ground for the application in various industrial applications such as in aerospace.

scholarly journals In vivo interactome profiling by enzyme‐catalyzed proximity labeling

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Yangfan Xu ◽  
Xianqun Fan ◽  
Yang Hu
Keyword(s):  
State Of The Art ◽  
Catalytic Efficiency ◽  
Biological Processes ◽  
Protein Protein Interaction ◽  
Current State ◽  
Protein Interactome ◽  
Potential Applications ◽  
Protein Protein Interaction Networks ◽  
Temporal And Spatial

AbstractEnzyme-catalyzed proximity labeling (PL) combined with mass spectrometry (MS) has emerged as a revolutionary approach to reveal the protein-protein interaction networks, dissect complex biological processes, and characterize the subcellular proteome in a more physiological setting than before. The enzymatic tags are being upgraded to improve temporal and spatial resolution and obtain faster catalytic dynamics and higher catalytic efficiency. In vivo application of PL integrated with other state of the art techniques has recently been adapted in live animals and plants, allowing questions to be addressed that were previously inaccessible. It is timely to summarize the current state of PL-dependent interactome studies and their potential applications. We will focus on in vivo uses of newer versions of PL and highlight critical considerations for successful in vivo PL experiments that will provide novel insights into the protein interactome in the context of human diseases.

scholarly journals Multiple particle filtering for tracking wireless agents via Monte Carlo likelihood approximation

2019 ◽  
Vol 2019 (1) ◽  
Author(s):  
Stephan Schlupkothen ◽  
Gerd Ascheid
Keyword(s):  
Monte Carlo ◽  
Computational Complexity ◽  
Particle Filtering ◽  
Gaussian Approximation ◽  
State Of The Art ◽  
Approximation Techniques ◽  
Accurate Localization ◽  
Likelihood Approximation ◽  
Current State ◽  
Multiple Particle

Abstract The localization of multiple wireless agents via, for example, distance and/or bearing measurements is challenging, particularly if relying on beacon-to-agent measurements alone is insufficient to guarantee accurate localization. In these cases, agent-to-agent measurements also need to be considered to improve the localization quality. In the context of particle filtering, the computational complexity of tracking many wireless agents is high when relying on conventional schemes. This is because in such schemes, all agents’ states are estimated simultaneously using a single filter. To overcome this problem, the concept of multiple particle filtering (MPF), in which an individual filter is used for each agent, has been proposed in the literature. However, due to the necessity of considering agent-to-agent measurements, additional effort is required to derive information on each individual filter from the available likelihoods. This is necessary because the distance and bearing measurements naturally depend on the states of two agents, which, in MPF, are estimated by two separate filters. Because the required likelihood cannot be analytically derived in general, an approximation is needed. To this end, this work extends current state-of-the-art likelihood approximation techniques based on Gaussian approximation under the assumption that the number of agents to be tracked is fixed and known. Moreover, a novel likelihood approximation method is proposed that enables efficient and accurate tracking. The simulations show that the proposed method achieves up to 22% higher accuracy with the same computational complexity as that of existing methods. Thus, efficient and accurate tracking of wireless agents is achieved.

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