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11.
High-throughput experiments (HTE) result in large amounts of raw data that have to be evaluated for sample classification. Especially mass spectrometry, a widely used detection method in catalytic HTE applications, produces enormous amounts of data. In the past few years, in catalysts research, several test rigs based on mass spectrometric detection have been independently reported by different groups. In a typical HTE, the catalysts are tested sequentially; the recording of the scans, however, occurs continuously. For this reason, the scans of interest have to be extracted from the raw data, and scans belonging to the same sample have to be averaged in a tedious procedure before further processing. In this publication, we present our custom-designed software MS-Express (mass spectrometry data-extracting and -processing software), an efficient tool for HTE MS data evaluation. MS-Express not only sorts the data, it also establishes statistical significance with the help of reference and blank data and provides concise information about abundance and intensity distributions of expected peaks. A special feature is that the program also reports unexpected MS signals, which potentially lead to unexpected discoveries. 相似文献
12.
We consider a general class of disordered mean-field models where both the spin variables and disorder variables η take finitely many values. To investigate the size-dependence in the phase-transition regime we construct the metastate describing
the probabilities to find a large system close to a particular convex combination of the pure infinite-volume states. We show
that, under a non-degeneracy assumption, only pure states j are seen, with non-random probability weights w
j
for which we derive explicit expressions in terms of interactions and distributions of the disorder variables. We provide
a geometric construction distinguishing invisible states (having w
j
=0) from visible ones. As a further consequence we show that, in the case where precisely two pure states are available, these
must necessarily occur with the same weight, even if the model has no obvious symmetry relating the two. 相似文献
13.
Christian Renicke Daniel Schuster Svetlana Usherenko Lars-Oliver Essen Christof Taxis 《Chemistry & biology》2013,20(4):619-626
Highlights? Optogenetic tool to control the stability of soluble and membrane proteins ? Engineered using the LOV2 domain and a murine ornithine decarboxylase-like degron ? Creation of light-switchable, conditional mutants ? Graded response to very low blue light intensities allows yeast photography 相似文献
14.
15.
We present a novel technique that intrinsically mitigates the quantum-defect heating in Raman lasers. The basic principle of this so-called "coherent anti-Stokes Raman scattering (CARS)-based heat mitigation" is to suppress the phonon creation in the Raman medium by increasing the number of out-coupled anti-Stokes photons with respect to the number of out-coupled Stokes photons. We demonstrate with the aid of numerical simulations that for a hydrogen and a silicon Raman laser, CARS-based heat mitigation efficiencies of at least 30% and 35%, respectively, can be obtained. 相似文献
16.
Teuscher C 《Chaos (Woodbury, N.Y.)》2007,17(2):026106
Future nanoscale electronics built up from an Avogadro number of components need efficient, highly scalable, and robust means of communication in order to be competitive with traditional silicon approaches. In recent years, the networks-on-chip (NoC) paradigm emerged as a promising solution to interconnect challenges in silicon-based electronics. Current NoC architectures are either highly regular or fully customized, both of which represent implausible assumptions for emerging bottom-up self-assembled molecular electronics that are generally assumed to have a high degree of irregularity and imperfection. Here, we pragmatically and experimentally investigate important design tradeoffs and properties of an irregular, abstract, yet physically plausible three-dimensional (3D) small-world interconnect fabric that is inspired by modern network-on-chip paradigms. We vary the framework's key parameters, such as the connectivity, number of switch nodes, and distribution of long- versus short-range connections, and measure the network's relevant communication characteristics. We further explore the robustness against link failures and the ability and efficiency to solve a simple toy problem, the synchronization task. The results confirm that (1) computation in irregular assemblies is a promising and disruptive computing paradigm for self-assembled nanoscale electronics and (2) that 3D small-world interconnect fabrics with a power-law decaying distribution of shortcut lengths are physically plausible and have major advantages over local two-dimensional and 3D regular topologies. 相似文献
17.
Avinash Chettri Jan-Hendrik Kruse Keshav Kumar Jha Lara Dröge Dr. Iuliia Romanenko Dr. Christof Neumann Dr. Stephan Kupfer Prof. Dr. Andrey Turchanin Prof. Dr. Sven Rau Prof. Dr. Felix H. Schacher Prof. Dr. Benjamin Dietzek 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(68):17049-17058
Recently, porous photocatalytically active block copolymer membranes were introduced, based on heterogenized molecular catalysts. Here, we report the integration of the photosensitizer, i. e., the light absorbing unit in an intermolecular photocatalytic system into block copolymer membranes in a covalent manner. We study the resulting structure and evaluate the orientational mobility of the photosensitizer as integral part of the photocatalytic system in such membranes. To this end we utilize transient absorption anisotropy, highlighting the temporal reorientation of the transition dipole moment probed in a femtosecond pump-probe experiment. Our findings indicate that the photosensitizer is rigidly bound to the polymer membrane and shows a large heterogeneity of absolute anisotropy values as a function of location probed within the matrix. This reflects the sample inhomogeneity arising from different protonation states of the photosensitizer and different intermolecular interactions of the photosensitizers within the block copolymer membrane scaffold. 相似文献
18.
Felix C. Raps Dr. Vincent C. Fäseke Prof. Dr. Daniel Häussinger Prof. Dr. Christof Sparr 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(42):18548-18552
The biomimetic synthesis of aromatic polyketides from macrocyclic substrates by means of catalyst-controlled transannular cyclization cascades is described. The macrocyclic substrates, which feature increased stability and fewer conformational states, were thereby transformed into several distinct polyketide scaffolds. The catalyst-controlled transannular cyclizations selectively led to aromatic polyketides with a defined folding and oxygenation pattern, thus emulating β-keto-processing steps of polyketide biosynthesis. 相似文献
19.
Zian Tang Dr. Antony George Dr. Andreas Winter David Kaiser Christof Neumann Dr. Thomas Weimann Prof. Dr. Andrey Turchanin 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(29):6473-6478
Field effect transistors (FETs) based on 2D materials are of great interest for applications in ultrathin electronic and sensing devices. Here we demonstrate the possibility to add optical switchability to graphene FETs (GFET) by functionalizing the graphene channel with optically switchable azobenzene molecules. The azobenzene molecules were incorporated to the GFET channel by building a van der Waals heterostructure with a carbon nanomembrane (CNM), which is used as a molecular interposer to attach the azobenzene molecules. Under exposure with 365 nm and 455 nm light, azobenzene molecules transition between cis and trans molecular conformations, respectively, resulting in a switching of the molecular dipole moment. Thus, the effective electric field acting on the GFET channel is tuned by optical stimulation and the carrier density is modulated. 相似文献
20.
Wolfgang Esser‐Skala Therese Wohlschlager Christof Regl Christian G. Huber 《Angewandte Chemie (International ed. in English)》2020,59(37):16225-16232
N‐glycosylation may affect the safety and efficacy of biopharmaceuticals and is thus monitored during manufacturing. Mass spectrometry of the intact protein is increasingly used to reveal co‐existing glycosylation variants. However, quantification of N‐glycoforms via this approach may be biased by single hexose residues as introduced by glycation or O‐glycosylation. Herein, we describe a simple strategy to reveal actual N‐glycoform abundances of therapeutic antibodies, involving experimental determination of glycation levels followed by computational elimination of the “hexosylation bias”. We show that actual N‐glycoform abundances may significantly deviate from initially determined values. Indeed, glycation may even obscure considerable differences in N‐glycosylation patterns of drug product batches. Our observations may thus have implications for biopharmaceutical quality control. Moreover, we solve an instance of the problem of isobaricity, which is fundamental to mass spectrometry. 相似文献