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Search for "template" in Full Text gives 182 result(s) in Beilstein Journal of Organic Chemistry.
Synthesis of a novel aminobenzene-containing hemicucurbituril and its fluorescence spectral properties with ions
Beilstein J. Org. Chem. 2021, 17, 2840–2847, doi:10.3762/bjoc.17.195
- hemicucurbiturils 3 (Scheme 1) have been template synthesized [27] in succession by modified imidazolidiones, including bambusurils [28][29][30], cyclohexylhemicucurbiturils [31], and semithiobambusurils [32]. On the other hand, in previous works, authors discussed the ability of the derivatives for accommodating
- equivalents of Cs2CO3 as the base and with or without an additive (Table 1, entries 1–4), no desired product was isolated. When the base was changed to NaH, to our delight, the macrocycle 9 was obtained even without any additive with 26.0% yield (Table 1, entry 5). As is known that the template plays an
Me3Al-mediated domino nucleophilic addition/intramolecular cyclisation of 2-(2-oxo-2-phenylethyl)benzonitriles with amines; a convenient approach for the synthesis of substituted 1-aminoisoquinolines
Beilstein J. Org. Chem. 2021, 17, 2765–2772, doi:10.3762/bjoc.17.186
- have always been recognized as the frameworks of interest in organic and medicinal fields. Particularly, aza-heteroarenes have attracted burgeoning interest in the research community owing to their structural and biological significance [1][2][3][4]. The isoquinoline template represents a huge family
Cryogels: recent applications in 3D-bioprinting, injectable cryogels, drug delivery, and wound healing
Beilstein J. Org. Chem. 2021, 17, 2553–2569, doi:10.3762/bjoc.17.171
- -containing cryogels with nerve growth factor to promote the growth of neurite cells [81]. Through the use of template-assisted photopolymerisation, cylindrical cryogels were formed as high aspect ratios are desired for bridging across regions when whole neural pathways or large brain areas are targeted
Targeting active site residues and structural anchoring positions in terpene synthases
Beilstein J. Org. Chem. 2021, 17, 2441–2449, doi:10.3762/bjoc.17.161
- functions as STPS and StTPS, the crystal structure of SdS [11] can be used as a template for SmTS1 to generate a Swiss homology model [20] (template pdb code 4OKM, Figure 3A). The active site residues of SdS make up a hydrophobic cavity (Figure 3B), that is structurally reflected in the SmTS1 model (Figure
Volatile emission and biosynthesis in endophytic fungi colonizing black poplar leaves
Beilstein J. Org. Chem. 2021, 17, 1698–1711, doi:10.3762/bjoc.17.118
- aristolochene synthase (pdb 20A6) as query and the de novo assembly as template revealed two genes with high similarity to other fungal TPS genes. The genes were designated CxTPS1 and CxTPS2. For functional characterization, the complete open reading frames of CxTPS1 and CxTPS2 were amplified from cDNA, cloned
- (Thermo Fisher Scientific). The template volume was adjusted to a final DNA concentration of approximately 500 ng/mL. Ultrapure water (Milli-Q® Synthesis A10) was added up to a final volume of 50 µL. PCR was performed in a gradient thermal cycler (Whatman Biometra 96T) using the following program
- . Identification and heterologous expression of terpene synthase genes To identify putative terpene synthases, a TBLASTN analysis with Aspergillus terreus aristolochene synthase (pdb 20A6) as query and the de novo transcriptome of Cladosporium sp. as a template was performed using the software BioEdit 7.0.9.0 [88
Chemical approaches to discover the full potential of peptide nucleic acids in biomedical applications
Beilstein J. Org. Chem. 2021, 17, 1641–1688, doi:10.3762/bjoc.17.116
- matched DNA duplex [136]. Bong and co-workers used melamine as a Janus-wedge nucleobase (KM, Figure 9) to organize two identical strands of oligothymidine DNA tracts (or oligouridine RNA tracts) on a peptide template to form peptide−DNA(RNA) triplex structures [137]. This approach was applied to induce
Double-headed nucleosides: Synthesis and applications
Beilstein J. Org. Chem. 2021, 17, 1392–1439, doi:10.3762/bjoc.17.98
Beyond ribose and phosphate: Selected nucleic acid modifications for structure–function investigations and therapeutic applications
Beilstein J. Org. Chem. 2021, 17, 908–931, doi:10.3762/bjoc.17.76
Insight into functionalized-macrocycles-guided supramolecular photocatalysis
Beilstein J. Org. Chem. 2021, 17, 139–155, doi:10.3762/bjoc.17.15
- system. Based on the above-mentioned approaches, organic and inorganic template-assisted diverse supramolecular assemblies have been constructed to optimize the photochemical reactivity as well as regio- and enantioselectivity [5][6]. In addition, to understand the excited-state properties of the guest
Secondary metabolites of Bacillus subtilis impact the assembly of soil-derived semisynthetic bacterial communities
Beilstein J. Org. Chem. 2020, 16, 2983–2998, doi:10.3762/bjoc.16.248
- in Table S2, Supporting Information File 1. The PCR reactions contained 10.6 μL DNase-free water, 12.5 μL TEMPase Hot Start 2x Master Mix, 0.8 μL of each primer (10 μM), and 0.3 μL of 50 ng/µL DNA template. The PCR was performed using the conditions of 95 °C for 15 min, followed by 30 cycles of 95 °C
Easy access to a carbohydrate-based template for stimuli-responsive surfactants
Beilstein J. Org. Chem. 2020, 16, 2788–2794, doi:10.3762/bjoc.16.229
- underlines that building block 5 is an ideal template for the synthesis of molecules with a 2,4- and 3,6-functional group pattern. However, after investigating the metal-binding properties of the synthesized diamines and the carboxylic acids, no conformational changes could be observed. Hence, the compounds
- conformation as discussed earlier. Conclusion In conclusion, it was possible to convert levoglucosan into building block 5 in only five robust steps. The building block 5 could be purified to afford the two pure anomers using column chromatography. The β-anomer, 5β, proved to be a very versatile template for
Leveraging glycomics data in glycoprotein 3D structure validation with Privateer
Beilstein J. Org. Chem. 2020, 16, 2523–2533, doi:10.3762/bjoc.16.204
- the lack of carbohydrate-specific modelling tools have often been named as the principal causes for these issues [18]. Heterogeneity of glycoproteins Unlike protein synthesis, which is encoded in the genome and follows a clear template, glycan biosynthesis is not template-directed. A single
Computational tools for drawing, building and displaying carbohydrates: a visual guide
Beilstein J. Org. Chem. 2020, 16, 2448–2468, doi:10.3762/bjoc.16.199
- monosaccharides, substituents and linkages from the list of symbols. However, some wrong combinations of choices can block the interface, resulting in the need to re-start the process (SugarSketcher is on version beta 1.3). Alternatively, SugarSketcher also uses GlycoCT or a native template library as an input. A
- list of pre-built core N- and O-linked carbohydrate moieties, which are usually present in glycoproteins structures, can be used as a template for further modification. A shortlist of glycan epitopes is also included providing templates for drawing more complex molecules. The software uses the Symbol
- glycans and terminals. Also, it provides 80+ monosaccharide (SNFG) symbols and a selection for substituents. The selected template or text string (in CFG linear nomenclature) input directly gets converted into an image in canvas and also appears as text in GlycoCT format. The output can be saved as a .svg
A proposed sustainability index for synthesis plans based on input provenance and output fate: application to academic and industrial synthesis plans for vanillin as a case study
Beilstein J. Org. Chem. 2020, 16, 2346–2362, doi:10.3762/bjoc.16.196
- matrices and the number of dominances for each plan for each pairwise attribute comparison. Supporting Information File 3 contains an Excel template file that facilitates carrying out the tedious task of pairwise comparisons involved in the poset analysis, particularly when the number of synthesis plans
- synthesis plans on production of 1 kg vanillin, Borda count results, and Poset analysis. Supporting Information File 569: Excel file of sustainability index (SI) calculator. Supporting Information File 570: Excel template file for carrying out poset pairwise dominance analysis. Acknowledgements This paper
Design and synthesis of a bis-macrocyclic host and guests as building blocks for small molecular knots
Beilstein J. Org. Chem. 2020, 16, 2314–2321, doi:10.3762/bjoc.16.192
- with 77 backbone atoms (Figure 2a) [15]. More recently, Leigh’s group disclosed the synthesis of the current record holder for the smallest knot, which has 76 backbone atoms (Figure 2b) [16]. Since the metal atom template has been removed, the Leigh compound is a true knot in strict topological terms
Tools for generating and analyzing glycan microarray data
Beilstein J. Org. Chem. 2020, 16, 2260–2271, doi:10.3762/bjoc.16.187
- intricacies involved at multiple levels. Unlike DNA and proteins, glycans are neither linear nor template driven, making their structures computationally taxing. In addition, the complexity is compounded by the sample and experimental meta data associated with the glycan microarray experiment. The following
GlypNirO: An automated workflow for quantitative N- and O-linked glycoproteomic data analysis
Beilstein J. Org. Chem. 2020, 16, 2127–2135, doi:10.3762/bjoc.16.180
- ]. This heterogeneity can take the form of variable occupancy, also known as macroheterogeneity – the presence or absence of modification at a particular site in a protein, due to inefficient transfer of the initial glycan structure [5]. In addition, the non-template-driven synthesis of glycan structures
A dynamic combinatorial library for biomimetic recognition of dipeptides in water
Beilstein J. Org. Chem. 2020, 16, 1588–1595, doi:10.3762/bjoc.16.131
- library to be under thermodynamic control. Therefore, the equilibrium responds to stimuli such as addition of a template, which would stabilize a suitable receptor and thus amplifies its formation. This strategy has led to the discovery of many artificial receptors [7][8][9][10], with thiolate disulfide
- by co-elution with the FF template. This is a not an issue for the YY containing sample as the template peak maximum lays between the first and second tripeptide dimer peak. We therefore concluded that the binding affinities of the receptor template pairs should be FF > YY > AA. In order to
- mL vial. Another 100 µL of a template stock solution (90 mM) was added. For a reference sample the template solution was substituted for buffer. Small magnetic stirring bars were added, and the vials were covered by a layer of perforated Parafilm to slow down drying due to fast air exchange. After
Five-component, one-pot synthesis of an electroactive rotaxane comprising a bisferrocene macrocycle
Beilstein J. Org. Chem. 2020, 16, 1564–1571, doi:10.3762/bjoc.16.128
- crystal X-ray structure of a doubly ferrocene-decorated [2]rotaxane are further reported. Keywords: ferrocene; macrocycle; rotaxane; single crystal X-ray structure; template; Introduction The development of interlocked molecules with tailored properties allowed the preparation of molecular machines able
- to perform several functions as artificial molecular switches [1]. The template-directed synthesis of such sophisticated catenane and rotaxane molecular architectures allowed the expansion of chemical diversity and properties. Among these architectures, electroactive rotaxanes have been described to
- synthesis of macrocycle 2 was carried out using N,N'-dihexyl-1,4-butanediamide as the template, as represented in Figure 2. While the formation of some macrocyclic product was identified by 1H NMR and MS, it could not be completely separated from impurities (<29% yield after chromatographic purification
Activated carbon as catalyst support: precursors, preparation, modification and characterization
Beilstein J. Org. Chem. 2020, 16, 1188–1202, doi:10.3762/bjoc.16.104
- porosity of the carbon spheres is induced by either aromatization of carbon around an in situ template, in situ chemical activation or gasification of carbon [96]. Xu et al. found that the morphology of the porous carbon materials prepared from propiolate salts with USP are dependent on the choice of
- preparation of these carbon materials (preparation of the solid scaffolds, pyrolysis of the carbon precursors in these templates and finally, the selective removal of the silica template) and the risk of structure and morphology defects by the harsh carbonization and template removal processes, this method is
- aerosol-assisted self-assembly using amphiphilic triblock copolymers as template and low-molecular weight soluble phenol resin as carbon source. The amphiphilic surfactant influences the pore size and mesostructure of the resulting spherical carbons. Finally, the template is removed by calcination [97
Synthesis of esters of diaminotruxillic bis-amino acids by Pd-mediated photocycloaddition of analogs of the Kaede protein chromophore
Beilstein J. Org. Chem. 2020, 16, 1111–1123, doi:10.3762/bjoc.16.98
- of the ε-isomer in 4: (1) the initial (Z)-configuration of the oxazolones 2 is retained during the C–H bond activation step to give 3; (2) the relative transoid arrangement in 3 establishes the 1,3-head-to-tail coupling of the exocyclic C=C bonds; (3) the template effect of the Pd2(O2CCF3)2 moiety
- this lack of reactivity. Release of the 1,3-truxillic derivative by methoxycarbonylation The last step to achieve the synthesis of the 1,3-diaminotruxillic targets was the release of the cyclobutane from the Pd2(O2CCF3)2 template. We previously reported that hydrogenation and halogenation were adequate
- tools to liberate 1,3-diaminotruxillics from the organopalladium template [29][30]. We employed similar reactions in this case with complexes 4, but none of the attempts gave satisfactory results. Therefore, we discarded them and investigated other alternatives. We found that the reaction of ortho
Efficient synthesis of 3,6,13,16-tetrasubstituted-tetrabenzo[a,d,j,m]coronenes by selective C–H/C–O arylations of anthraquinone derivatives
Beilstein J. Org. Chem. 2020, 16, 544–550, doi:10.3762/bjoc.16.51
- ]. Anthraquinone was chosen as a convenient template for the PAH syntheses, because various anthraquinone derivatives possessing zero to four oxygen substituents at the ortho-positions are readily available and the regioselective arylation at the positions of either C–H or C–O bonds provided a variety of
- introduction of two different aryl groups at the ortho-positions can be achieved by chemoselective C–O arylation of aromatic ketones possessing both C–H and C–O bonds and subsequent C–H arylation. We envisioned that the application of this strategy to the anthraquinone template would provide its derivatives
Combination of multicomponent KA2 and Pauson–Khand reactions: short synthesis of spirocyclic pyrrolocyclopentenones
Beilstein J. Org. Chem. 2020, 16, 200–211, doi:10.3762/bjoc.16.23
- structure in three single steps (Scheme 1b). This unprecedent molecular scaffold represents a valuable template for medicinal chemistry purpose, as the pyrrolocyclopentenone core is contained in a variety of bioactive molecules [49][50], and can serve as an advanced intermediate for the synthesis of
Bacterial terpene biosynthesis: challenges and opportunities for pathway engineering
Beilstein J. Org. Chem. 2019, 15, 2889–2906, doi:10.3762/bjoc.15.283
- thiotemplated assembly lines, such as type I polyketide synthases (PKS) and nonribosomal peptide synthetases (NRPS), are modular, with each module contributing a distinct fragment to the final product’s core structure – a short-chain carboxylic acid (PKS) or an amino acid (NRPS). The modularly defined template
Palladium-catalyzed synthesis and nucleotide pyrophosphatase inhibition of benzo[4,5]furo[3,2-b]indoles
Beilstein J. Org. Chem. 2019, 15, 2830–2839, doi:10.3762/bjoc.15.276
- 52% in case of ENPP3, amino acids sequence similarity with template, mouse ENPP1. The RMSD for ENPP1 was 0.613 Å and 1.349 Å for ENPP3, over 816 and 811 residues in comparison to the template, respectively. The Ramachandran plot represented promising stereochemical properties as above 98% amino acids
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