Parallelanalyse der Reaktionsprodukte von Katalysatorbibliotheken

Snively, Christopher M.; Oskarsdottir, Gudbjorg; Lauterbach, Jochen A.

doi:10.1002/1521-3757(20010817)113:16<3117::aid-ange3117>3.0.co;2-x

Cited by 19 publications

(3 citation statements)

References 22 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A powerful technique to determine the internal chemistry of zeolites is Fourier-transform infrared (FTIR) spectroscopy, which can be used to probe the character of bonds present in the system. Snively et al [92][93][94][95] first developed a 7-chamber parallel FTIR spectrometer that, whilst predominantly employed for metal-alumina supported catalysts, [93][94][95] was shown to be transferable to zeolites. [92,93] However, the main appeal of the device was the increased high-quality spectrum acquisition speed as the apparatus collected seven spectra simultaneously (averaged to produce a final single spectrum) from the same sample, rather than collecting multiple spectra stepwise.…”

Section: Chemical Propertiesmentioning

confidence: 99%

High Throughput Methods in the Synthesis, Characterization, and Optimization of Porous Materials

et al. 2020

View full text Add to dashboard Cite

Notwithstanding these impediments, in many fields of materials science, solutions are being designed to mitigate hindrances to the efficient sampling of chemical space and improving the robustness of computational screening models through a combination of high throughput synthesis (HTS), characterization, and machine learning. In this review, we highlight key developments in high throughput approaches pertinent to porous materials. Specifically, we focus on developments in the field of zeolitic materials, metal-organic frameworks (MOFs), and touch upon covalent organic frameworks (COFs). Although superficially these classes of materials have little in common, there are structural links such as topology which allow for the consideration of how high throughput methods contrast with one another. By contrasting developments in different fields, we identify some underutilized approaches which could be leveraged in the future. We target structurally ordered materials because the exploration of chemical and topological space is more straightforward to enumerate, though similar approaches could be applied to disordered materials. The scale of the problem faced in materials science of targeted structure and function [1] is by no means unique; in drug discovery, HTS and chemoinformatic approaches have been used for more than 40 years in an attempt to accelerate the discovery of druggable molecules. [2,3] Unlike the drug discovery process, where Lipinski's "rule of 5" [4] provides a reliable top level sift for viable targets, identifying the most promising material for a target application requires very particular properties that may be intertwined in complex and contradictory ways. For example, thermoelectrics require high electrical conductivity and low thermal conductivity and yet these properties are typically correlated unless they can be separated. [5] Given the large scope of potential applications, the advent of the Materials Genome Initiative (MGI) [6,7] in the United States has undoubtedly helped to promote ways to solve the aforementioned obstacles and numerous others. Similarly there are major initiatives within the EU (e.g., NOMAD [8] and BIGmax [9]) and Switzerland (MARVEL [10]). In the MGI, nanoporous materials, including zeolites and MOFs, have been specifically targeted [11] and in this review, we seek to highlight particular challenges in the field of porous materials and how researchers have sought to overcome these challenges. We focus primarily on the methods used in HTS and rapid throughput/screening computational approaches. Aspects of high throughput computation applied to porous materials have been reviewed before, [12-14] as has high throughput experimentation (HTE) [15,16] but here we focus on their combination within an integrated workflow. Porous materials are widely employed in a large range of applications, in particular, for storage, separation, and catalysis of fine chemicals. Synthesis, characterization, and pre-and post-synthetic computer simulations are mostly carried out in a piecemeal a...

show abstract

Section: Chemical Propertiesmentioning

confidence: 99%

High Throughput Methods in the Synthesis, Characterization, and Optimization of Porous Materials

et al. 2020

View full text Add to dashboard Cite

show abstract

“…Novel high‐throughput approaches are therefore needed to study catalytic reactions quantitatively, in parallel, and under both transient and steady‐state conditions. To answer this need, we have developed Fourier transform infrared (FTIR) imaging for the study of multiple catalytic reactors simultaneously with a time resolution below 2 s 3i,j. 5…”

Section: The Catalysts Tested With Fourier Transform Infrared (Ftir) mentioning

confidence: 99%

Applications of LC/MS in structure identifications of small molecules and proteins in drug discovery

Chen¹,

Pramanik²,

Liu³

et al. 2007

J. Mass Spectrom.

View full text Add to dashboard Cite

With advancements in ionization methods and instrumentation, liquid chromatography/mass spectrometry (LC/MS) has become a powerful technology for the characterization of small molecules and proteins. This article will illustrate the role of LC/MS analysis in drug discovery process. Examples will be given on high-throughput analysis, structural analysis of trace level impurities in drug substances, identification of metabolites, and characterization of therapeutic protein products for process improvement. Some unique MS techniques will also be discussed to demonstrate their effectiveness in facilitating structural identifications.

show abstract

“…The feasibility of FTIR imaging to study gaseous or solid‐state reactions was demonstrated in several transmission cells 237. 241 By using attenuated total‐reflection (ATR) imaging Chan and Kazarian studied samples under a broad range of humidities and applied high‐throughput testing to pharmaceutical formulations 242. Their FTIR imaging system consisted of a step‐scan spectrometer coupled with a macrochamber extension and a 64×64 focal plane array (FPA) detector with a size of 3.8×3.8 mm 2 .…”

Section: High‐throughput Analysis and Characterizationmentioning

confidence: 99%

Vascular Access Simplified. A. H. Davies and C. P. Gibbons (eds). 148×209 mm. Pp. 246. Illustrated. 2007. tfm. Publishing Ltd: Shrewsbury. £30·00

Bockel

2007

British Journal of Surgery

View full text Add to dashboard Cite

There is increasing acceptance of high‐throughput technologies for the discovery, development, and optimization of materials and catalysts in industry. Over the years, the relative synchronous development of technologies for parallel synthesis and characterization has been accompanied by developments in associated software and information technologies. This Review aims to provide a comprehensive overview on the state of the art of the field by selected examples. Technologies developed to aid research on complex materials are covered as well as databases, design of experiment, data‐mining technologies, modeling approaches, and evolutionary strategies for development. Different methods for parallel synthesis provide single sample libraries, gradient libraries for electronic or optical materials, similar to polymers and catalysts, and products produced through formulation strategies. Many examples illustrate the variety of isolated solutions and document the barely recognized variety of new methods for the synthesis and analysis of almost any material. The Review ends with a summary of success stories and statements on still‐present problems and future tasks.

show abstract

Parallelanalyse der Reaktionsprodukte von Katalysatorbibliotheken

Cited by 19 publications

References 22 publications

High Throughput Methods in the Synthesis, Characterization, and Optimization of Porous Materials

High Throughput Methods in the Synthesis, Characterization, and Optimization of Porous Materials

Applications of LC/MS in structure identifications of small molecules and proteins in drug discovery

Vascular Access Simplified. A. H. Davies and C. P. Gibbons (eds). 148×209 mm. Pp. 246. Illustrated. 2007. tfm. Publishing Ltd: Shrewsbury. £30·00

Contact Info

Product

Resources

About