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Search for "identification" in Full Text gives 421 result(s) in Beilstein Journal of Organic Chemistry. Showing first 200.

Icilio Guareschi and his amazing “1897 reaction”

  • Gian Cesare Tron,
  • Alberto Minassi,
  • Giovanni Sorba,
  • Mara Fausone and
  • Giovanni Appendino

Beilstein J. Org. Chem. 2021, 17, 1335–1351, doi:10.3762/bjoc.17.93

Graphical Abstract
  • can hardly be underestimated. In those times, the only methods available for the identification of compounds were holistic, that is, associated with the whole molecular construct (melting point and boiling point, optical rotation, diffraction index, density), and color reactions were therefore
  • critical for the identification of functional groups, being the equivalent of what next became IR spectroscopy. Schiff himself had contributed to this development with the discovery of the sulfite-decolorized fuchsine test for aldehydes and with the popularization of the biuret test for peptide bonds. It
  • to the identification of pharmaceutical phenols by Sigmund Lustgarten, is carried out under anhydrous conditions, either on an alkaline salt of the phenol or by adding solid KOH or NaOH to a chloroform solution of the phenol [5][21]. Reimer and Tiemann discovered that, in the presence of water, the
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Published 25 May 2021

A new glance at the chemosphere of macroalgal–bacterial interactions: In situ profiling of metabolites in symbiosis by mass spectrometry

  • Marine Vallet,
  • Filip Kaftan,
  • Veit Grabe,
  • Fatemeh Ghaderiardakani,
  • Simona Fenizia,
  • Aleš Svatoš,
  • Georg Pohnert and
  • Thomas Wichard

Beilstein J. Org. Chem. 2021, 17, 1313–1322, doi:10.3762/bjoc.17.91

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  • specialised metabolites involved in host–bacteria interactions. In our study, comparative metabolomics using atmospheric pressure scanning microprobe matrix-assisted laser desorption/ionisation high-resolution mass spectrometry (AP-SMALDI-HRMS) enables the identification of specialised metabolites of the
  • intensities of the compounds of interest. In some cases, the matrix might also work in opposition to this premise, suppressing desired ions. Then, matrix-free approaches such as LDI-HRMS can overcome this limiting phenomenon and have been applied for species-level microalgal identification based on metabolic
  • features m/z 104.1064 and m/z 143.0815 have only been detected by one of the two methods. Identification of metabolites in Ulva–bacteria symbiosis To identify the selected markers found by the comparative metabolomics study, we searched several mass spectra libraries, including METLIN, and determined the
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Published 19 May 2021

Beyond ribose and phosphate: Selected nucleic acid modifications for structure–function investigations and therapeutic applications

  • Christopher Liczner,
  • Kieran Duke,
  • Gabrielle Juneau,
  • Martin Egli and
  • Christopher J. Wilds

Beilstein J. Org. Chem. 2021, 17, 908–931, doi:10.3762/bjoc.17.76

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  • identification of mismatches and the binding of RNA-processing proteins with chemical shift dispersions as large as 4 ppm, suggesting that this modification has a wide use for the determination of a variety of RNA structures through NMR spectroscopy [211]. In contrast, the incorporation of 4'-C-aminoalkyl-2'-O
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Published 28 Apr 2021

Chiral isothiourea-catalyzed kinetic resolution of 4-hydroxy[2.2]paracyclophane

  • David Weinzierl and
  • Mario Waser

Beilstein J. Org. Chem. 2021, 17, 800–804, doi:10.3762/bjoc.17.68

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  • about established methods to access enantioenriched 2 and the herein investigated kinetic resolution (KR) with chiral isothiourea (ITU) catalysts. Use of alternative acylating agents 4 for the kinetic resolution of rac-2. Identification of the optimum catalyst and best conditions for the resolution of
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Letter
Published 08 Apr 2021

Designed whole-cell-catalysis-assisted synthesis of 9,11-secosterols

  • Marek Kõllo,
  • Marje Kasari,
  • Villu Kasari,
  • Tõnis Pehk,
  • Ivar Järving,
  • Margus Lopp,
  • Arvi Jõers and
  • Tõnis Kanger

Beilstein J. Org. Chem. 2021, 17, 581–588, doi:10.3762/bjoc.17.52

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  • ][9][10][15]. Biochemical characterization of 9,11-secosterols has so far mainly relied on the identification and purification of natural products from marine invertebrates. The intriguing profile of biological properties has prompted synthetic studies of this class of secosterols. The majority of
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Published 01 Mar 2021

Breakdown of 3-(allylsulfonio)propanoates in bacteria from the Roseobacter group yields garlic oil constituents

  • Anuj Kumar Chhalodia and
  • Jeroen S. Dickschat

Beilstein J. Org. Chem. 2021, 17, 569–580, doi:10.3762/bjoc.17.51

Graphical Abstract
  • point to the presence of another, yet unidentified type of DMSP lyase in this organism, because control experiments with medium plates with DAllSP added did not show a spontaneous degradation to 29 that could explain its observation. The compound identification was based on a comparison to an authentic
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Published 26 Feb 2021

Identification of volatiles from six marine Celeribacter strains

  • Anuj Kumar Chhalodia,
  • Jan Rinkel,
  • Dorota Konvalinkova,
  • Jörn Petersen and
  • Jeroen S. Dickschat

Beilstein J. Org. Chem. 2021, 17, 420–430, doi:10.3762/bjoc.17.38

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  • reported before from pineapples [53], pears [62], passion fruits [63], and apples [64]. Conclusion Six marine Celeribacter strains were investigated for their volatiles, leading to the identification of 42 compounds from different classes, including several sulfur volatiles. However, feeding experiments
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Published 11 Feb 2021

CF3-substituted carbocations: underexploited intermediates with great potential in modern synthetic chemistry

  • Anthony J. Fernandes,
  • Armen Panossian,
  • Bastien Michelet,
  • Agnès Martin-Mingot,
  • Frédéric R. Leroux and
  • Sébastien Thibaudeau

Beilstein J. Org. Chem. 2021, 17, 343–378, doi:10.3762/bjoc.17.32

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  • the 6-31G* level allowed, by calculating fragment orbitals (FO), the identification of the nature of this attractive interaction [25]. The latter arose from a homoconjugation interaction (−5.3 kcal⋅mol−1) of one fluorine lone pair (πnF FO) with the empty 2pC orbital of the cationic carbon center
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Published 03 Feb 2021

Synthesis of legonmycins A and B, C(7a)-hydroxylated bacterial pyrrolizidines

  • Wilfred J. M. Lewis,
  • David M. Shaw and
  • Jeremy Robertson

Beilstein J. Org. Chem. 2021, 17, 334–342, doi:10.3762/bjoc.17.31

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  • Baeyer–Villiger-type ring expansion, hydrolysis and decarboxylation, cyclization and dehydration, and finally hydroxylation at C(7a). Just one month later, Bode reported the identification of an unknown gene cluster in the symbiotic bacterium Xenorhabdus stockiae [23]. Cloning and expression of this
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Published 02 Feb 2021

Supramolecular polymers with reversed viscosity/temperature profile for application in motor oils

  • Jan-Erik Ostwaldt,
  • Christoph Hirschhäuser,
  • Stefan K. Maier,
  • Carsten Schmuck and
  • Jochen Niemeyer

Beilstein J. Org. Chem. 2021, 17, 105–114, doi:10.3762/bjoc.17.11

Graphical Abstract
  • identification of one compound as a promising VII. Keywords: noncovalent interactions; polymers; ring-chain transformation; supramolecular chemistry; viscosity; Introduction Viscosity index improvers (VIIs) are used to counteract the loss of viscosity of working fluids (such as motor oils) at elevated
  • ). This led to the identification of one final candidate that was successfully applied as a VII in two motor oils, which is unprecedented for a low-molecular weight VII. Results and Discussion Developing a VII system based on supramolecular interactions Based on our working hypothesis, a supramolecular
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Published 12 Jan 2021

The fluorescence of a mercury probe based on osthol

  • Guangyan Luo,
  • Zhishu Zeng,
  • Lin Zhang,
  • Zhu Tao and
  • Qianjun Zhang

Beilstein J. Org. Chem. 2021, 17, 22–27, doi:10.3762/bjoc.17.3

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  • be used for the quantitative detection and monitoring of mercury ions in the environment. Results and Discussion OST fluorescence probe for Hg2+ identification Selectivity of the fluorescent OST probe to metal ions The specificity of a probe for metal ions is the key factor to evaluate the
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Published 05 Jan 2021

Molecular basis for protein–protein interactions

  • Brandon Charles Seychell and
  • Tobias Beck

Beilstein J. Org. Chem. 2021, 17, 1–10, doi:10.3762/bjoc.17.1

Graphical Abstract
  • can only be fully exploited via interactions, either in the form of PPIs or with other metabolites and biomolecules, such as nucleic acids. Thus, the identification of the molecular binding partners that proteins interact with is an interesting avenue to facilitate the discovery of the protein
  • functionality and the corresponding pathways. Important roles of PPIs include hormone reception [2], protease inhibition [3], antibody–antigen complexes [4], gene regulation [5], and large biomolecular assemblies [6]. PPI identification and prediction are important for targeting anticancer strategies [7
  • fundamental in proteomics, and the identification of PPIs has the potential to confer new drug targets for diseases, such as cancer. As a result, research involving PPIs is imperative for our biological knowledge and future aspects in medicine. Different methodologies employed to study PPIs. The protein used
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Published 04 Jan 2021

Semiautomated glycoproteomics data analysis workflow for maximized glycopeptide identification and reliable quantification

  • Steffen Lippold,
  • Arnoud H. de Ru,
  • Jan Nouta,
  • Peter A. van Veelen,
  • Magnus Palmblad,
  • Manfred Wuhrer and
  • Noortje de Haan

Beilstein J. Org. Chem. 2020, 16, 3038–3051, doi:10.3762/bjoc.16.253

Graphical Abstract
  • developed to facilitate and improve both the identification and quantification of glycopeptides. Here, a selection of these tools was combined and evaluated with the aim of establishing a robust glycopeptide detection and quantification workflow targeting enriched glycoproteins. For this purpose, a tryptic
  • digest from affinity-purified immunoglobulins G and A was analyzed on a nano-reversed-phase liquid chromatography–tandem mass spectrometry platform with a high-resolution mass analyzer and higher-energy collisional dissociation fragmentation. Initial glycopeptide identification based on MS/MS data was
  • aided by the Byonic software. Additional MS1-based glycopeptide identification relying on accurate mass and retention time differences using GlycopeptideGraphMS considerably expanded the set of confidently annotated glycopeptides. For glycopeptide quantification, the performance of LaCyTools was
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Published 11 Dec 2020

Controlled decomposition of SF6 by electrochemical reduction

  • Sébastien Bouvet,
  • Bruce Pégot,
  • Stéphane Sengmany,
  • Erwan Le Gall,
  • Eric Léonel,
  • Anne-Marie Goncalves and
  • Emmanuel Magnier

Beilstein J. Org. Chem. 2020, 16, 2948–2953, doi:10.3762/bjoc.16.244

Graphical Abstract
  • also monitored by 19F NMR (Figure 5). After 3 hours experience, unidentified side-products were detected by NMR. Identification of these fleeting species as well as their potential reactivity are under current investigation in our laboratory. The left part of Figure 5 clearly demonstrates the total
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Published 01 Dec 2020

On the mass spectrometric fragmentations of the bacterial sesterterpenes sestermobaraenes A–C

  • Anwei Hou and
  • Jeroen S. Dickschat

Beilstein J. Org. Chem. 2020, 16, 2807–2819, doi:10.3762/bjoc.16.231

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  • allows to identify interesting candidate genes coding for terpene synthases for further studies by genome mining. A major difficulty in the GC–MS-based identification of terpenes is associated with the high similarity of the mass spectra of structurally related terpenes. For this reason, the unambiguous
  • identification of terpenes requires either the direct comparison to an authentic standard, or, since such a standard is not always available, a very good match of the measured mass spectrum to a library spectrum and of the measured retention index to literature data. Mass spectrometric fragmentations proceed
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Published 19 Nov 2020

Synthesis of purines and adenines containing the hexafluoroisopropyl group

  • Viacheslav Petrov,
  • Rebecca J. Dooley,
  • Alexander A. Marchione,
  • Elizabeth L. Diaz,
  • Brittany S. Clem and
  • William Marshall

Beilstein J. Org. Chem. 2020, 16, 2739–2748, doi:10.3762/bjoc.16.224

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  • rotamers in hand, an Eyring plot was generated, and the enthalpy and entropy of activation were derived (Table 2). The structural identification of the major and minor rotamers was not attempted by NMR, but in silico investigations of 3a supported the intuitive notion that the rotamer of lower energy was
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Published 11 Nov 2020

Nocarimidazoles C and D, antimicrobial alkanoylimidazoles from a coral-derived actinomycete Kocuria sp.: application of 1JC,H coupling constants for the unequivocal determination of substituted imidazoles and stereochemical diversity of anteisoalkyl chains in microbial metabolites

  • Md. Rokon Ul Karim,
  • Enjuro Harunari,
  • Amit Raj Sharma,
  • Naoya Oku,
  • Kazuaki Akasaka,
  • Daisuke Urabe,
  • Mada Triandala Sibero and
  • Yasuhiro Igarashi

Beilstein J. Org. Chem. 2020, 16, 2719–2727, doi:10.3762/bjoc.16.222

Graphical Abstract
  • of the genus Kocuria, isolated from a stony coral Mycedium sp., led to the identification of two new alkanoylimidazoles, nocarimidazoles C (1) and D (2) as well as three known congeners, nocarimidazoles A (3) and B (4) and bulbimidazole A (5). Structure analysis of 1 and 2 by NMR and MS revealed that
  • alkanoylimidazoles, nocarimidazoles C (1) and D (2), along with the identification of three known related compounds, nocarimidazoles A (3) and B (4) as well as bulbimidazole A (5). We also discuss the stereochemical diversity of the anteisoalkanoyl group in these compounds. Results and Discussion Strain T35-5 was
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Published 05 Nov 2020

A consensus-based and readable extension of Linear Code for Reaction Rules (LiCoRR)

  • Benjamin P. Kellman,
  • Yujie Zhang,
  • Emma Logomasini,
  • Eric Meinhardt,
  • Karla P. Godinez-Macias,
  • Austin W. T. Chiang,
  • James T. Sorrentino,
  • Chenguang Liang,
  • Bokan Bao,
  • Yusen Zhou,
  • Sachiko Akase,
  • Isami Sogabe,
  • Thukaa Kouka,
  • Elizabeth A. Winzeler,
  • Iain B. H. Wilson,
  • Matthew P. Campbell,
  • Sriram Neelamegham,
  • Frederick J. Krambeck,
  • Kiyoko F. Aoki-Kinoshita and
  • Nathan E. Lewis

Beilstein J. Org. Chem. 2020, 16, 2645–2662, doi:10.3762/bjoc.16.215

Graphical Abstract
  • representations. We believe the utility of these wild-cards extends beyond biosynthesis modeling (Table 9) and may be useful in the description of glycan-chemosynthetic procedures, lectin identification of glycan motifs, and any other purpose where a group of glycans (rather than an individual glycan) is being
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Published 27 Oct 2020

Leveraging glycomics data in glycoprotein 3D structure validation with Privateer

  • Haroldas Bagdonas,
  • Daniel Ungar and
  • Jon Agirre

Beilstein J. Org. Chem. 2020, 16, 2523–2533, doi:10.3762/bjoc.16.204

Graphical Abstract
  • used to counteract the need for complementary analytic techniques. One of the examples of this is tandem mass spectrometry, where the glycan fragmentation is controlled to obtain the identification of the glycosylation sites and a complete description of the glycan structure compositions, including
  • glycan databases. Significantly, the GlyTouCan project aims to create a public repository of known glycan sequences by assigning them unique identification tags. Each identification tag describes a glycan sequence in the WURCS notation, and this allows to link specific glycans to other databases, such as
  • and the conformations can be elucidated; middle: A medium resolution example where the identification starts to become difficult; right: A low-resolution example for which all prior knowledge must be used. Despite coming from different glycoprotein structures, the glycan has the same composition, and
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Published 09 Oct 2020

Computational tools for drawing, building and displaying carbohydrates: a visual guide

  • Kanhaya Lal,
  • Rafael Bermeo and
  • Serge Perez

Beilstein J. Org. Chem. 2020, 16, 2448–2468, doi:10.3762/bjoc.16.199

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  • aspects of glycan identification, quantification and visualisation, some of which will be further developed throughout this article. Biological molecules express their function throughout their three-dimensional structures. For this reason, structural biology places great emphasis on the three-dimensional
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Published 02 Oct 2020
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  • adequate for rapid identification of best and worst plans in a given set of synthesis plans, whereas, the more detailed poset pairwise dominance analysis is appropriate for obtaining a precise ranking of intermediate performing plans. Application of these ranking methods to 22 synthesis plans for vanillin
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Published 25 Sep 2020

Tools for generating and analyzing glycan microarray data

  • Akul Y. Mehta,
  • Jamie Heimburg-Molinaro and
  • Richard D. Cummings

Beilstein J. Org. Chem. 2020, 16, 2260–2271, doi:10.3762/bjoc.16.187

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  • positions. This enables identification of terminal residues (i.e. those with all backbone carbon positions without linkages except one). In addition, it uses a new algorithm termed minimum-redundance, maximum-relevance (mRMR) to perform the subtree mining, yielding more fine-tuned results. The authors have
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Published 10 Sep 2020

GlypNirO: An automated workflow for quantitative N- and O-linked glycoproteomic data analysis

  • Toan K. Phung,
  • Cassandra L. Pegg and
  • Benjamin L. Schulz

Beilstein J. Org. Chem. 2020, 16, 2127–2135, doi:10.3762/bjoc.16.180

Graphical Abstract
  • diseased states [8]. The current state-of-the art technology for the characterisation, identification, and quantification of the glycome or glycoproteome is liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) [9]. Popular and powerful glycoproteomic workflows typically involve standard
  • packages have been developed for analysis of outputs from MS technology to automate the process of transformation of raw MS data into ion intensities and matching them with appropriate glycan and peptide sequence databases for glycopeptide identification (reviewed in [12][13][14][15][16]). However, there
  • use a predefined list of analytes and masses to interrogate MS1 data, and I-GPA [20], GlycopeptideGraphMS [21], GlycoFragwork [22], and GlycReSoft [23], which integrate identification and abundance/intensity information for glycopeptides (a recent review is provided in [10]). Importantly, the
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Published 01 Sep 2020

Muyocopronones A and B: azaphilones from the endophytic fungus Muyocopron laterale

  • Ken-ichi Nakashima,
  • Junko Tomida,
  • Tomoe Tsuboi,
  • Yoshiaki Kawamura and
  • Makoto Inoue

Beilstein J. Org. Chem. 2020, 16, 2100–2107, doi:10.3762/bjoc.16.177

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  • Technologies). DNA sequencing was performed using an Applied Biosystems 3130 genetic analyzer. Silica gel AP-300 (Toyota Kako) was employed for column chromatography (CC). Silica gel 60 F254 and RP-18 F254S (both Merck) were used for TLC. Fungal material and identification Muyocopron laterale ECN279 was
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Published 28 Aug 2020

Clustering and curation of electropherograms: an efficient method for analyzing large cohorts of capillary electrophoresis glycomic profiles for bioprocessing operations

  • Ian Walsh,
  • Matthew S. F. Choo,
  • Sim Lyn Chiin,
  • Amelia Mak,
  • Shi Jie Tay,
  • Pauline M. Rudd,
  • Yang Yuansheng,
  • Andre Choo,
  • Ho Ying Swan and
  • Terry Nguyen-Khuong

Beilstein J. Org. Chem. 2020, 16, 2087–2099, doi:10.3762/bjoc.16.176

Graphical Abstract
  • qualitatively curate large cohort CE-LIF glycomics data. For glycan identification, a previously reported method based on internal triple standards is used. For determining the glycan relative quantities our method uses a clustering algorithm to ‘divide and conquer’ highly heterogeneous electropherograms into
  • optimization study. The key advantage of this computational approach is that all runs can be analyzed simultaneously with high accuracy in glycan identification and quantitation and there is no theoretical limit to the scale of this method. Keywords: capillary electrophoresis; clustering; data analysis
  • antibody glycosylation accurately, high-throughput analysis of hundreds to thousands of profiles is required for the identification of critical process parameters that control the glycosylation CQAs [8]. For complete bioprocessing analysis, favorable glyco-analytical methods need to convey a qualitative
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Published 27 Aug 2020
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