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Search for "complexes" in Full Text gives 1153 result(s) in Beilstein Journal of Organic Chemistry. Showing first 200.

Recommendations for performing measurements of apparent equilibrium constants of enzyme-catalyzed reactions and for reporting the results of these measurements

  • Robert N. Goldberg,
  • Robert T. Giessmann,
  • Peter J. Halling,
  • Carsten Kettner and
  • Hans V. Westerhoff

Beilstein J. Org. Chem. 2023, 19, 303–316, doi:10.3762/bjoc.19.26

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  • equilibrium. The total ATP concentration is the sum of the concentrations of the individual ionic species formed by the protonation or metal ion binding reactions of the ATP species Additional metal ion complexes (e.g., involving Ca2+, K+, and Na+) can also be included in Equation 4. Similar expressions can
  • has occurred at a microscopic level and from both directions of reaction. Binding, ionization, and reactions that involve the formation of complexes often proceed rapidly. In such cases, the assumption is generally made that equilibrium has been achieved. In any case, any assumption regarding the
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Perspective
Published 15 Mar 2023

Continuous flow synthesis of 6-monoamino-6-monodeoxy-β-cyclodextrin

  • János Máté Orosz,
  • Dóra Ujj,
  • Petr Kasal,
  • Gábor Benkovics and
  • Erika Bálint

Beilstein J. Org. Chem. 2023, 19, 294–302, doi:10.3762/bjoc.19.25

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  • Staudinger reduction using triphenylphosphine (PPh3) and N3-β-CD (3) in DMF has been the most popular method for the synthesis of NH2-β-CD (4) since its first publication by Bonnet et al. [46]. This is despite the fact, that PPh3 and its oxidized product (triphenylphosphine oxide) form complexes with β-CD
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Published 09 Mar 2023

Synthesis, α-mannosidase inhibition studies and molecular modeling of 1,4-imino-ᴅ-lyxitols and their C-5-altered N-arylalkyl derivatives

  • Martin Kalník,
  • Sergej Šesták,
  • Juraj Kóňa,
  • Maroš Bella and
  • Monika Poláková

Beilstein J. Org. Chem. 2023, 19, 282–293, doi:10.3762/bjoc.19.24

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  • inhibitor:enzyme complexes were analyzed by molecular modeling. Keywords: glycosidase inhibitor; Golgi mannosidase II; iminosugar; inhibition; molecular modeling; Introduction Iminosugars are analogs of monosaccharides in which the endocyclic oxygen atom is replaced with a nitrogen atom [1][2][3][4][5]. These
  • -mannosidase II (LManII) and JBMan). Finally, structural and physicochemical properties of inhibitor:enzyme complexes were investigated at the theoretical level using molecular docking, hybrid quantum mechanics/molecular mechanics (QM/MM) calculations and fragmented molecular orbital pair interaction energy
  • geometries of the resulting inhibitor:dGMII complexes (for 10, 20, 28–30 and DIM) were optimized at the hybrid QM/MM level (BP86/LACVP*:OPLS2005). Based on the previous pKa calculations [22] of DIM, 30 and 31 bound at the active site of dGMII (their pKa = 4.9–5.4 at pH 6 of Golgi), all imino-ᴅ-lyxitol
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Published 06 Mar 2023

Sequential hydrozirconation/Pd-catalyzed cross coupling of acyl chlorides towards conjugated (2E,4E)-dienones

  • Benedikt Kolb,
  • Daniela Silva dos Santos,
  • Sanja Krause,
  • Anna Zens and
  • Sabine Laschat

Beilstein J. Org. Chem. 2023, 19, 176–185, doi:10.3762/bjoc.19.17

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  • optimize the second step of the reaction sequence, several Pd complexes were tested in the reaction of 25a with 26a. However, the yields of the dienone 27a decreased considerably, when (Ph3P)2PdCl2 was replaced by other Pd complexes (Table 3, entries 2–5). In particular, (AntPhos)2Pd(dba) and (XPhos)2Pd
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Published 17 Feb 2023

Insight into oral amphiphilic cyclodextrin nanoparticles for colorectal cancer: comprehensive mathematical model of drug release kinetic studies and antitumoral efficacy in 3D spheroid colon tumors

  • Sedat Ünal,
  • Gamze Varan,
  • Juan M. Benito,
  • Yeşim Aktaş and
  • Erem Bilensoy

Beilstein J. Org. Chem. 2023, 19, 139–157, doi:10.3762/bjoc.19.14

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  • having hydrophobic cavities and hydrophilic exterior surfaces, CDs are widely used in the pharmaceutical field to form inclusion complexes mostly with nonpolar molecules in their cavities [22]. In addition, CDs also offer several advantages for colonic drug delivery, because CDs are broken down by the
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Published 13 Feb 2023

Organophosphorus chemistry: from model to application

  • György Keglevich

Beilstein J. Org. Chem. 2023, 19, 89–90, doi:10.3762/bjoc.19.8

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  • -tris(chlorophenyl)-1,2-diphosphacyclopentadienides upon reaction with polyphosphides. These ligands were converted to the corresponding ferrocene complexes. This synthesis was elaborated by Zagidullin and his team. The two remaining articles also indicate the importance of the P-heterocyclic discipline
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Editorial
Published 25 Jan 2023

Preparation of β-cyclodextrin/polysaccharide foams using saponin

  • Max Petitjean and
  • José Ramón Isasi

Beilstein J. Org. Chem. 2023, 19, 78–88, doi:10.3762/bjoc.19.7

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  • Max Petitjean Jose Ramon Isasi Department of Chemistry. University of Navarra. 31080 Pamplona, Spain 10.3762/bjoc.19.7 Abstract Cyclodextrins, cyclic oligosaccharides with a hydrophobic cavity that form inclusion complexes with nonpolar molecules, can be used to functionalize other
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Published 24 Jan 2023

Improving the accuracy of 31P NMR chemical shift calculations by use of scaling methods

  • William H. Hersh and
  • Tsz-Yeung Chan

Beilstein J. Org. Chem. 2023, 19, 36–56, doi:10.3762/bjoc.19.4

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  • ] and polyoxometalates [33]. More recently, DFT methods have been applied to transition metal phosphorus complexes that cover a wide range of chemical shifts [34][35] using methods related to what we will describe here, but such studies are beyond the scope of this paper and typically focus on one metal
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Published 10 Jan 2023

Inclusion complexes of the steroid hormones 17β-estradiol and progesterone with β- and γ-cyclodextrin hosts: syntheses, X-ray structures, thermal analyses and API solubility enhancements

  • Alexios I. Vicatos,
  • Zakiena Hoossen and
  • Mino R. Caira

Beilstein J. Org. Chem. 2022, 18, 1749–1762, doi:10.3762/bjoc.18.184

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  • ingredients (APIs) is necessary to render them bioavailable. This study addresses the poor solubility of two potent steroid hormones, 17β-estradiol (BES) and progesterone (PRO), via their complexation with two water-soluble native cyclodextrins (CDs) namely β-CD and γ-CD. The hydrated inclusion complexes β
  • diffraction (SCXRD) were employed for focused studies of the isostructurality of the CD complexes with known complexes and structural elucidation of the new complexes, respectively. SCXRD analyses of β-CD·BES, β-CD·PRO and γ-CD·PRO at 100(2) K yielded the first crystal structures of CD complexes containing
  • host–guest stoichiometries and water contents of the four hydrated inclusion complexes enabled accurate assignment of the chemical formulae of these ternary systems. Predicted electron counts for the complexed molecules BES and PRO correlated reasonably well with the complex compositions indicated by
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Published 22 Dec 2022

Preparation of β-cyclodextrin-based dimers with selectively methylated rims and their use for solubilization of tetracene

  • Konstantin Lebedinskiy,
  • Volodymyr Lobaz and
  • Jindřich Jindřich

Beilstein J. Org. Chem. 2022, 18, 1596–1606, doi:10.3762/bjoc.18.170

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  • native CD was described, but an order of magnitude decrease of K was found for permethylated CD [2]. Also, methylation changes the solubility of CDs in organic solvents, expanding their potential field of application. CDs form the most stable complexes with hydrophobic compounds in polar solvents such as
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Published 25 Nov 2022

Functionalization of imidazole N-oxide: a recent discovery in organic transformations

  • Koustav Singha,
  • Imran Habib and
  • Mossaraf Hossain

Beilstein J. Org. Chem. 2022, 18, 1575–1588, doi:10.3762/bjoc.18.168

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  • fluoroborate complexes of the N-oxides O-acylated by TsHal and the cine-substitution occurs with the help of a halogen group releasing the tosyl group. Here, 1.0 equiv 2-unsubstituted imidazole N-oxides were refluxed with 1.0 equiv TsHal in 1.0 equiv pyridine that played the role as both the base and the
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Review
Published 22 Nov 2022

A study of the DIBAL-promoted selective debenzylation of α-cyclodextrin protected with two different benzyl groups

  • Naser-Abdul Yousefi,
  • Morten L. Zimmermann and
  • Mikael Bols

Beilstein J. Org. Chem. 2022, 18, 1553–1559, doi:10.3762/bjoc.18.165

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  • hydroxy groups pointing towards the sides [1]. This makes the ‘hole’ in the donut a lipophilic cavity that in water can form complexes with small hydrophobic molecules [2] driven by the entropy increase by expulsion of water [3]. Compound 1 has a wide range of applications where the complexation of
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Published 17 Nov 2022

Cyclometalated iridium complexes-catalyzed acceptorless dehydrogenative coupling reaction: construction of quinoline derivatives and evaluation of their antimicrobial activities

  • Hongling Shui,
  • Yuhong Zhong,
  • Renshi Luo,
  • Zhanyi Zhang,
  • Jiuzhong Huang,
  • Ping Yang and
  • Nianhua Luo

Beilstein J. Org. Chem. 2022, 18, 1507–1517, doi:10.3762/bjoc.18.159

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  • against Gram-positive bacteria and compound 3ck against C. albicans were better than the reference drug norfloxacin. Keywords: acceptorless dehydrogenative coupling reaction; antibacterial; cyclometalated iridium complexes; quinolines; Introduction As an important class of heterocyclic compounds
  • as raw material. In order to solve such problems, chemists have developed ADC reactions catalyzed by metal complexes (such as Ir [18][19], Ru [20][21][22][23][24], Re [25], Mn [26][27], Pd [28], Ni [29], Cu [30], etc.) to synthesize quinolines using o-aminobenzyl alcohol as starting material. ADC
  • reactions have the advantages of high atom economy, simple operation, clean and green, and have become a research hotspot [31][32][33][34][35]. Cyclometalated iridium complexes with good catalytic efficiency and selectivity are very effective catalysts in ADC reactions. Moreover, these catalysts are easy to
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Published 27 Oct 2022

Comparison of crystal structure and DFT calculations of triferrocenyl trithiophosphite’s conformance

  • Ruslan P. Shekurov,
  • Mikhail N. Khrizanforov,
  • Ilya A. Bezkishko,
  • Tatiana P. Gerasimova,
  • Almaz A. Zagidullin,
  • Daut R. Islamov and
  • Vasili A. Miluykov

Beilstein J. Org. Chem. 2022, 18, 1499–1504, doi:10.3762/bjoc.18.157

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  • [7]. It is important to know the conformational capabilities of such ligands for construction of such complexes [8][9][10][11]. However, to date, XRD data on phosphorus derivatives containing a ferrocenyl substituent at the sulfur atom are presented only in oxidized and sulfurized forms
  • . Trithiophosphite has not been studied by X-ray diffraction analysis, although it is of great interest for the construction of complexes with multiferrocene systems. Herein we present for the first time X-ray diffraction data of (FcS)3P and compare it with DFT calculations to show which conformation are preferred
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Published 25 Oct 2022

Supramolecular approaches to mediate chemical reactivity

  • Pablo Ballester,
  • Qi-Qiang Wang and
  • Carmine Gaeta

Beilstein J. Org. Chem. 2022, 18, 1463–1465, doi:10.3762/bjoc.18.152

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  • showcasing innovative research regarding supramolecular catalysis using macrocyclic and acyclic hosts, as well as other molecular architectures such as self-assembled capsules and metallocages. In their contribution, Secchi and Cera [15] reported the synthesis of diphosphine gold(I) calix[6]arene complexes
  • in the field of the supramolecular catalysis on the use of discrete heteroleptic metallo-supramolecular complexes as catalysts. The idea of breaking/reducing symmetry has inspired many researchers to study heteroleptic metallo-complexes made up of various ligands. The authors emphasized the
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Editorial
Published 14 Oct 2022

1,4,6,10-Tetraazaadamantanes (TAADs) with N-amino groups: synthesis and formation of boron chelates and host–guest complexes

  • Artem N. Semakin,
  • Ivan S. Golovanov,
  • Yulia V. Nelyubina and
  • Alexey Yu. Sukhorukov

Beilstein J. Org. Chem. 2022, 18, 1424–1434, doi:10.3762/bjoc.18.148

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  • hydrazone groups. The use of N-TAAD derivatives as potential ligands and receptors was showcased through forming boron chelates and host–guest complexes with water and simple alcohols. Keywords: azaadamantanes; cyclotrimerization; hydrazones; inclusion complexes; molecular recognition; Introduction
  •  1b) [21][22][23]. In particular, N,N,N-trihydroxy-TAAD derivatives (3O-TAADs) were shown to be chelating ligands for boron [24]. The application of TAAD-boronate complexes was demonstrated by the preparation of conjugates of boronic acids with biomolecules [25][26], COF-like materials [25], and
  • dynamic covalent libraries [25]. TAAD can be covalently bound to a polymer matrix through the nucleophilic nitrogen N(1) that was used to prepare scavengers of boronic acids [25]. Also, TAAD was demonstrated to serve as a scorpionate-type ligand for manganese and iron leading to complexes with the metal
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Published 11 Oct 2022
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  • key organic intermediates in the drug discovery and process chemistry [4][5][6]. Chiral metal–salen complexes were designed for catalyzing reaction processes that resulted in good yield, high regioselective and enantioselective control for the asymmetric ring opening of terminal epoxides. Various
  • ]. Since their discovery, researchers have investigated several Co–salen complexes for the KR of epoxides with phenols as nucleophiles (Figure 1) [18][19]. Kim et al. described a catalytic system of a chiral Co–salen immobilized on meso/macroporous silica monoliths for the ring opening of epoxides [20
  • synthesis of unsymmetrical salens for the preparation of Co–salen complexes and their evaluation as catalyst for the synthesis of α-aryloxy alcohols through the phenolic KR of terminal epoxides (Scheme 1). Indeed, advantages to break the C2-symmetry in Co–salen complexes were reported before [23][40]. In
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Published 10 Oct 2022

Synthesis of meso-pyrrole-substituted corroles by condensation of 1,9-diformyldipyrromethanes with pyrrole

  • Baris Temelli and
  • Pinar Kapci

Beilstein J. Org. Chem. 2022, 18, 1403–1409, doi:10.3762/bjoc.18.145

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  • Baris Temelli Pinar Kapci Hacettepe University, Department of Chemistry, Beytepe Campus, 06800, Ankara, Turkey 10.3762/bjoc.18.145 Abstract A copper triflate-mediated approach to access copper complexes of pyrrole-substituted corroles from the reaction of 1,9-diformyldipyrromethanes and an excess
  • with corroles, here we describe the first synthesis of copper complexes of trans-A2B-corroles possessing pyrrol-2-yl substituents at positions 5 and 15 by the condensation reaction of 1,9-diformylated dipyrromethanes with pyrrole in the presence of copper triflate. Results and Discussion At the
  • complexes of A2B-type pyrrole substituted corroles. We believe that the placement of the polymerizable pyrrole as a conjugated substituent to the macrocycle is an important contribution to the polymerization of corroles and the expansion of the usage areas of these compounds. Further studies on the
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Published 06 Oct 2022

Cyclodextrin-based Schiff base pro-fragrances: Synthesis and release studies

  • Attila Palágyi,
  • Jindřich Jindřich,
  • Juraj Dian and
  • Sophie Fourmentin

Beilstein J. Org. Chem. 2022, 18, 1346–1354, doi:10.3762/bjoc.18.140

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  • hydrophilic outer surface and hydrophobic cavity. This cavity can encapsulate another lipophilic guest molecule and thus form an inclusion complex [3][4]. This phenomenon is reversible and leads to an equilibrium between encapsulated and free guest. A staggering number of inclusion complexes of CDs with
  • easiest accessibility; besides, β-CD forms usually the strongest inclusion complexes compared to α-CD and γ-CD. The amino-β-CD was prepared according to published procedures [25][26][27]. Common commercially available volatile aldehydes 2a–j (Figure 2) were chosen as the aldehyde reactants. Some of the
  • that CD-based pro-fragrances combine a chemical barrier, as the aldehydes are linked to the CD via imine bond, and a physicochemical (supramolecular) barrier, as we established that aldehydes formed inclusion complexes in aqueous solution with β-CD. We confirmed from the NMR kinetic study of the imine
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Published 28 Sep 2022

Synthesis and electrochemical properties of 3,4,5-tris(chlorophenyl)-1,2-diphosphaferrocenes

  • Almaz A. Zagidullin,
  • Farida F. Akhmatkhanova,
  • Mikhail N. Khrizanforov,
  • Robert R. Fayzullin,
  • Tatiana P. Gerasimova,
  • Ilya A. Bezkishko and
  • Vasili A. Miluykov

Beilstein J. Org. Chem. 2022, 18, 1338–1345, doi:10.3762/bjoc.18.139

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  • mediator in the synthesis of asymmetric phosphines starting from white phosphorus [15]. Moreover, the presence of the lone pair of the P atom opens the route to polynuclear complexes [16][17][18] and coordination polymers [19][20][21] with the mixed σ-/π-coordination mode, which is not typical for
  • replaced with phosphacyclopentadienyl ligands. Related diphosphacyclobutadiene complexes Fe(η4-P2C2R2)2 were oxidized much more cathodically (negative by 1.7–2.0 V) [46][47], which indicated a significant contribution of the phosphacyclopentadienyl ligands to the iron atomic orbitals. Of course the
  • structures of 8 and diphosphacyclobutadiene complexes are not isolobal, but it would be interesting to study electrochemical properties of Fe(η5-P2C3R3)2 complexes in the future. For reduction, the electrochemical properties changed more noticeable since the contribution to the LUMO came from the
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Published 27 Sep 2022

Ionic multiresonant thermally activated delayed fluorescence emitters for light emitting electrochemical cells

  • Merve Karaman,
  • Abhishek Kumar Gupta,
  • Subeesh Madayanad Suresh,
  • Tomas Matulaitis,
  • Lorenzo Mardegan,
  • Daniel Tordera,
  • Henk J. Bolink,
  • Sen Wu,
  • Stuart Warriner,
  • Ifor D. Samuel and
  • Eli Zysman-Colman

Beilstein J. Org. Chem. 2022, 18, 1311–1321, doi:10.3762/bjoc.18.136

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  • and emission takes place within the intrinsic region [2][3][4][5][6]. Two families of widely investigated emitters for LEECs are ionic transition metal complexes (iTMCs) [7][8][9][10] and conjugated polymers (CPs) [4]. From the early use of ruthenium(II) complexes, a significant amount of research has
  • focussed on developing high-performance iTMC-based LEECs [11][12], with iridium(III) complexes typically showing the greatest potential. A detracting feature of many iTMC LEECs is the use of scarce noble metal complexes. Despite the enormous number of low molecular weight organic emitters designed for use
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Published 22 Sep 2022

Polymer and small molecule mechanochemistry: closer than ever

  • José G. Hernández

Beilstein J. Org. Chem. 2022, 18, 1225–1235, doi:10.3762/bjoc.18.128

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  • molecules (but also inorganic precursors, organometallic complexes, enzymes, monomeric units, or even polymers) in bulk and to provide the energy required for the system to react (Figure 1b and Figure 1c) [7][8][9][10][11][12]. At times, the methodological differences between both approaches seem to have
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Published 14 Sep 2022

Reductive opening of a cyclopropane ring in the Ni(II) coordination environment: a route to functionalized dehydroalanine and cysteine derivatives

  • Oleg A. Levitskiy,
  • Olga I. Aglamazova,
  • Yuri K. Grishin and
  • Tatiana V. Magdesieva

Beilstein J. Org. Chem. 2022, 18, 1166–1176, doi:10.3762/bjoc.18.121

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  • base complexes; stereoselective electrosynthesis; voltammetric testing; Introduction Electrochemistry provides a direct access to highly reactive species by means of harnessing electrons or electron holes as reagents [1][2]. This capacity can be efficiently exploited in organic synthesis for rational
  • -cyclopropanated amino acids in the form of Ni(II)–Schiff base complexes were suggested [16][17][18][19], including electrochemical ones [15]. Cyclopropane-containing amino acids are important components of various pharmaceuticals [20][21] and bio-additives [22]. Meanwhile, the cyclopropane fragment not only
  • Ni(II) coordination environment yielding structurally and functionally novel types of tailor-made amino acids. Results and Discussion Voltammetry study As models, a series of Ni(II)–Schiff base complexes containing α,α-cyclopropanated amino acids was synthesized (see Figure 1). Complexes 1–3
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Published 08 Sep 2022

Heterogeneous metallaphotoredox catalysis in a continuous-flow packed-bed reactor

  • Wei-Hsin Hsu,
  • Susanne Reischauer,
  • Peter H. Seeberger,
  • Bartholomäus Pieber and
  • Dario Cambié

Beilstein J. Org. Chem. 2022, 18, 1123–1130, doi:10.3762/bjoc.18.115

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  • catalytic approaches [9]. Especially the combination with other transition metal catalysts (metallaphotoredox catalysis), such as nickel complexes, resulted in a vast number of new methods to achieve cross-couplings under mild conditions [10]. However, the conditions of these methods are often hard to
  • combination of solid photocatalysts (i.e., semiconductors) and homogeneous nickel complexes are feasible, but the fact that the nickel complex is in solution reduces the benefits of packed-bed reactor types [19][23][24]. Recently, several bifunctional heterogeneous catalysts that combine the photo- and the
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Published 29 Aug 2022

Scope of tetrazolo[1,5-a]quinoxalines in CuAAC reactions for the synthesis of triazoloquinoxalines, imidazoloquinoxalines, and rhenium complexes thereof

  • Laura Holzhauer,
  • Chloé Liagre,
  • Olaf Fuhr,
  • Nicole Jung and
  • Stefan Bräse

Beilstein J. Org. Chem. 2022, 18, 1088–1099, doi:10.3762/bjoc.18.111

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  • ) triazoloquinoxaline complexes as well as a new TIQ rhenium complex were synthesized. As a result, a small 1,2,3-triazoloquinoxaline library was obtained and the method could be expanded towards 4-substituted tetrazoloquinoxalines. The compatibility of various aliphatic and aromatic alkynes towards the reaction was
  • investigated and the denitrogenative annulation towards imidazoloquinoxalines could be observed as a competing reaction depending on the alkyne concentration and the substitutions at the quinoxaline. Keywords: click reaction; CuAAC; denitrogenative annulation; imidazole; metal complexes; quinoxaline
  • diversity of metal complexes incorporating 1,2,3-triazoles as ligands have been reported [16][17][18]. Triazole ligands with N-heterocycles such as Pyta (4-(2-pyridyl)-1,2,3-triazole) and related structures were employed to obtain novel metal complexes as catalysts [19][20] and imaging probes [21], as well
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Published 24 Aug 2022
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