Novel photochemical reactions of carbocyclic diazodiketones without elimination of nitrogen – a suitable way to N-hydrazonation of C–H-bonds

• Liudmila L. Rodina,
• Xenia V. Azarova,
• Jury J. Medvedev,
• Dmitrij V. Semenok and
• Valerij A. Nikolaev

Beilstein J. Org. Chem. 2018, 14, 2250–2258, doi:10.3762/bjoc.14.200

• 1c (CCDC 1584937) and 2b (CCDC 1584938) an Agilent Technologies «Xcalibur» diffractometer with monochromated MoKα radiation was used. All samples were measured at 100 K. The unit cell parameters were refined by least square techniques in CrysAlisPro (Agilent Technologies, 2012) program complex

Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds – an experimental and theoretical study

• Ana-Maria Preda,
• Małgorzata Krasowska,
• Lydia Wrobel,
• Philipp Kitschke,
• Phil C. Andrews,
• Jonathan G. MacLellan,
• Lutz Mertens,
• Marcus Korb,
• Tobias Rüffer,
• Heinrich Lang,
• Alexander A. Auer and
• Michael Mehring

Beilstein J. Org. Chem. 2018, 14, 2125–2145, doi:10.3762/bjoc.14.187

• S diffractometer at 123 K (1b), 120 K (2a, 3), 115 K (4, 5·2CH2Cl2) and 100 K (2b) using Cu Kα radiation (λ = 1.54184 Å) for 2a and Mo Kα radiation (λ = 0.71073 Å) for 1b, 2b, 3, 4, 5·2CH2Cl2. The structures were solved by direct methods using SHELXS-2013 [68][69] and refined by full-matrix least

Applications of organocatalysed visible-light photoredox reactions for medicinal chemistry

• Michael K. Bogdos,
• Emmanuel Pinard and
• John A. Murphy

Beilstein J. Org. Chem. 2018, 14, 2035–2064, doi:10.3762/bjoc.14.179

• report of the reduction of aryl chlorides without the use of a strong base, UV radiation or highly reactive neutral organic reducing agents. The PDI catalytic cycle is different to the general catalytic cycle presented in the introduction and is presented in Figure 7. The group also showed that it is

Diazirine-functionalized mannosides for photoaffinity labeling: trouble with FimH

• Femke Beiroth,
• Tomas Koudelka,
• Thorsten Overath,
• Stefan D. Knight,
• Andreas Tholey and
• Thisbe K. Lindhorst

Beilstein J. Org. Chem. 2018, 14, 1890–1900, doi:10.3762/bjoc.14.163

• -functionalized mannosides as high-affinity FimH ligands and performed an extensive study on photo-crosslinking of the best ligand (mannoside 3) with a series of model peptides and FimH. Notably, we have employed high-performance mass spectrometry to be able to detect radiation results with the highest possible

Graphitic carbon nitride prepared from urea as a photocatalyst for visible-light carbon dioxide reduction with the aid of a mononuclear ruthenium(II) complex

• Kazuhiko Maeda,
• Daehyeon An,
• Ryo Kuriki,
• Daling Lu and
• Osamu Ishitani

Beilstein J. Org. Chem. 2018, 14, 1806–1812, doi:10.3762/bjoc.14.153

• Kα radiation), Fourier-transform infrared (FTIR) spectroscopy (FTIR-610, Jasco), transmission electron microscopy (TEM) (JEM-2010F, JEOL), and UV–visible diffuse reflectance spectroscopy (DRS) (V-565, Jasco). The Brunauer–Emmett–Teller (BET) surface area of each specimen was determined using a

The phenyl vinyl ether–methanol complex: a model system for quantum chemistry benchmarking

• Dominic Bernhard,
• Fabian Dietrich,
• Mariyam Fatima,
• Cristóbal Pérez,
• Hannes C. Gottschalk,
• Axel Wuttke,
• Ricardo A. Mata,
• Martin A. Suhm,
• Melanie Schnell and
• Markus Gerhards

Beilstein J. Org. Chem. 2018, 14, 1642–1654, doi:10.3762/bjoc.14.140

• °C, respectively) and co-expanded with the carrier gas neon (2.5–3.0 bar). For the one- and two-color R2PI, the IR/R2PI and the UV/IR/UV experiments up to three tunable nanosecond laser systems were necessary, including two independent UV laser systems and one IR laser system. The UV laser radiation

• is obtained via second harmonic generation in a BBO crystal using the output of a dye laser (Cobra-Stretch and PrecisionScan, Sirah). They are pumped by the second harmonic (532 nm) of a Nd:YAG laser (SpitLight 600 and SpitLight 1000, Innolas). The IR laser radiation in the range of 3520–3750 cm−1 is

• . Amplification of the resulting IR radiation is obtained by an optical parametric amplification (OPA) process in a further LiNbO3 crystal using the output of the DFM process and the fundamental (1064 nm) of the Nd:YAG laser. For the IR/R2PI spectra, the IR laser was fired 50 ns prior to the UV excitation laser

Recent advances in phosphorescent platinum complexes for organic light-emitting diodes

• Cristina Cebrián and
• Matteo Mauro

Beilstein J. Org. Chem. 2018, 14, 1459–1481, doi:10.3762/bjoc.14.124

• phosphors spatially separated from the LED source. The associated values of correlated colour temperature (CCT), colour rendering index (CRI) and luminous efficacy of the radiation (LER) were acceptable, proving the suitability of these systems for lighting applications. Nevertheless, a fast degradation of

Cobalt–metalloid alloys for electrochemical oxidation of 5-hydroxymethylfurfural as an alternative anode reaction in lieu of oxygen evolution during water splitting

• Jonas Weidner,
• Stefan Barwe,
• Kirill Sliozberg,
• Stefan Piontek,
• Justus Masa,
• Ulf-Peter Apfel and
• Wolfgang Schuhmann

Beilstein J. Org. Chem. 2018, 14, 1436–1445, doi:10.3762/bjoc.14.121

• dilution with 990 μL water. Physical characterization X-ray diffractometry XRD data were obtained using a Panalytical X'PERT Pro MPD X-ray diffractometer with a Cu Kα radiation source (λ = 1.5418 Å) in the 2θ = 20–80° range. Scanning electron microscopy SEM images were taken using a Quanta ED FEG scanning

On the design principles of peptide–drug conjugates for targeted drug delivery to the malignant tumor site

• Eirinaios I. Vrettos,
• Gábor Mező and
• Andreas G. Tzakos

Beilstein J. Org. Chem. 2018, 14, 930–954, doi:10.3762/bjoc.14.80

• intervention, radiation and chemotherapy. Drugs used for this purpose are inevitably cytotoxic in order to eliminate cancer cells, but they lack selectivity that could be developed through targeting malignant cells (Figure 1). Due to the uncontrolled peripheral toxicity, anticancer drugs usually kill healthy

Crystal structure of the inclusion complex of cholesterol in β-cyclodextrin and molecular dynamics studies

• Elias Christoforides,
• Andreas Papaioannou and
• Kostas Bethanis

Beilstein J. Org. Chem. 2018, 14, 838–848, doi:10.3762/bjoc.14.69

• specimen was used for single crystal X-ray diffraction data collection. The X-ray intensity data were measured at 100(2) K on a Bruker D8-VENTURE diffractometer, using a Cu Kα radiation (λ = 1.54178 Å) and an Oxford Cryosystems low-temperature device. A total of 3092 frames were collected during the 23.77

Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principles

• Ido Azuri,
• Anna Hirsch,
• Anthony M. Reilly,
• Alexandre Tkatchenko,
• Shai Kendler,
• Oded Hod and
• Leeor Kronik

Beilstein J. Org. Chem. 2018, 14, 381–388, doi:10.3762/bjoc.14.26

• . Keywords: density functional theory; THz spectroscopy; Introduction The transparency of many non-conductive materials in the terahertz range (0.1 to 10 THz) of the electromagnetic spectrum has led to the development of several potential applications of terahertz radiation [1]. Terahertz spectroscopy of

Polarization spectroscopy methods in the determination of interactions of small molecules with nucleic acids – tutorial

• Tamara Šmidlehner,
• Ivo Piantanida and
• Gennaro Pescitelli

Beilstein J. Org. Chem. 2018, 14, 84–105, doi:10.3762/bjoc.14.5

• of radiation. Different orienting methods exist for different kinds of samples [2]. For macromolecules like polynucleotides which adopt a secondary structure with a preferred direction of elongation (that is, the polynucleotide helical axis), flow linear dichroism is the most suitable technique. In

Ring-size-selective construction of fluorine-containing carbocycles via intramolecular iodoarylation of 1,1-difluoro-1-alkenes

• Takeshi Fujita,
• Ryo Kinoshita,
• Tsuyoshi Takanohashi,
• Naoto Suzuki and
• Junji Ichikawa

Beilstein J. Org. Chem. 2017, 13, 2682–2689, doi:10.3762/bjoc.13.266

• CCD diffractometer using Mo Kα (graphite monochromated, λ = 0.71069 Å) radiation. The CCDC deposition numbers of compounds 2a and 6a are 1556804 and 1556803, respectively. All the reactions were conducted under argon or nitrogen atmosphere. Materials: Column chromatography and preparative thin-layer

Pyrene–nucleobase conjugates: synthesis, oligonucleotide binding and confocal bioimaging studies

• Artur Jabłoński,
• Yannic Fritz,
• Hans-Achim Wagenknecht,
• Rafał Czerwieniec,
• Tytus Bernaś,
• Damian Trzybiński,
• Krzysztof Woźniak and
• Konrad Kowalski

Beilstein J. Org. Chem. 2017, 13, 2521–2534, doi:10.3762/bjoc.13.249

• Cu Kα radiation (λ = 1.54184 Å) using the CrysAlis RED software [41]. The analytical numerical absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid [42] implemented in the SCALE3 ABSPACK scaling algorithm, was applied [41]. The structural

Solvent-free copper-catalyzed click chemistry for the synthesis of N-heterocyclic hybrids based on quinoline and 1,2,3-triazole

• Martina Tireli,
• Silvija Maračić,
• Stipe Lukin,
• Marina Juribašić Kulcsár,
• Dijana Žilić,
• Mario Cetina,
• Ivan Halasz,
• Silvana Raić-Malić and
• Krunoslav Užarević

Beilstein J. Org. Chem. 2017, 13, 2352–2363, doi:10.3762/bjoc.13.232

• using graphite-monochromatized Mo Kα radiation (λ = 0.71073 Å). Data for 8 were collected at the same temperature on Oxford Diffraction Xcalibur Nova R diffractometer with Ruby detector using mirror-monochromatized Cu Kα radiation (λ = 1.54184 Å). The CrysAlisPro program [58] was used for the data

The effect of milling frequency on a mechanochemical organic reaction monitored by in situ Raman spectroscopy

• Patrick A. Julien,
• Ivani Malvestiti and
• Tomislav Friščić

Beilstein J. Org. Chem. 2017, 13, 2160–2168, doi:10.3762/bjoc.13.216

• Bruker Vertex 70 FT-IR Platinum ATR, while X-ray powder diffraction patterns were collected on a Proto Manufacturing AXRD Benchtop Powder Diffractometer using Ni-filtered Cu Kα radiation. The conversion for each solid-state reaction was evaluated after milling using 1H NMR spectroscopy conducted in CDCl3

Enzymatic separation of epimeric 4-C-hydroxymethylated furanosugars: Synthesis of bicyclic nucleosides

• Neha Rana,
• Manish Kumar,
• Vinod Khatri,
• Jyotirmoy Maity and
• Ashok K. Prasad

Beilstein J. Org. Chem. 2017, 13, 2078–2086, doi:10.3762/bjoc.13.205

• before use. The single crystal X-ray diffraction data was collected with graphite-monochromated Mo Kα radiation (λ = 0.71073 Å) at USIC, University of Delhi, Delhi. General procedure for biocatalytic acetylation of ribo- and xylotrihydroxyfuranosides 3a,b: synthesis of compounds 4a,b. Similar as

• temperature. The X-ray diffraction data was collected with graphite monochromated Mo Kα radiation (λ = 0.71073 Å) at a temperature of 293 K. The structures were solved by direct methods using SHELXS-97 and refined by full-matrix least-squqres method on F2 (SHELXL-97) [20]. All calculations were carried out

Mechanochemical Knoevenagel condensation investigated in situ

• Sebastian Haferkamp,
• Franziska Fischer,
• Werner Kraus and
• Franziska Emmerling

Beilstein J. Org. Chem. 2017, 13, 2010–2014, doi:10.3762/bjoc.13.197

• , the reaction mixture was milled in stainless steel jars at 50 Hz for 45 minutes. The final products were characterized by XRPD. X-ray powder diffraction: All samples were characterised by XRPD analysis using a Bruker D8 diffractometer: Cu Kα1 radiation (λ = 1.54106 Å), 5.0° ≤ 2 θ ≤ 60°. All data were

• excitation wavelength was 785 nm. A typical measurement consists of five accumulated recordings for 5 s. A new measurement was started every 30 s. Single crystal X-ray diffraction: Single crystal XRD measurements were performed on a D8 Venture diffractometer (Bruker AXS, Germany) using Mo Kα radiation (λ

Mechanochemical synthesis of thioureas, ureas and guanidines

• Vjekoslav Štrukil

Beilstein J. Org. Chem. 2017, 13, 1828–1849, doi:10.3762/bjoc.13.178

• to be made. Since these are solid-state reactions, powder X-ray diffraction (PXRD) using synchrotron radiation was suitable as the analytical tool to monitor the changes during ball milling on a microscopic level in real time [24]. In this way, the first in situ observations of mechanochemical

Ni nanoparticles on RGO as reusable heterogeneous catalyst: effect of Ni particle size and intermediate composite structures in C–S cross-coupling reaction

• Debasish Sengupta,
• Koushik Bhowmik,
• Goutam De and
• Basudeb Basu

Beilstein J. Org. Chem. 2017, 13, 1796–1806, doi:10.3762/bjoc.13.174

• ) lasers. The laser power was kept sufficiently low to avoid heating of the samples and spectra were collected with a resolution of 1 cm−1. X-ray diffraction (XRD) studies of the powder samples were performed with Rigaku Smartlab X-ray diffractometer operating at 9 kW (200 mA; 45 kV) using Cu Kα radiation

Block copolymers from ionic liquids for the preparation of thin carbonaceous shells

• Sadaf Hanif,
• Bernd Oschmann,
• Dmitri Spetter,
• Muhammad Nawaz Tahir,
• Wolfgang Tremel and
• Rudolf Zentel

Beilstein J. Org. Chem. 2017, 13, 1693–1701, doi:10.3762/bjoc.13.163

• aluminum garnet (Nd:YAG) laser. X-ray diffraction was performed on a Siemens D 5000 diffractometer equipped with Cu Kα radiation source (wavelength of 1.54056 Å) for both as synthesized as well as carbon coated TiO2 nanoparticles. TEM samples were prepared by dispersing the sample in ethanol and drop

Molecular recognition of N-acetyltryptophan enantiomers by β-cyclodextrin

• Spyros D. Chatziefthimiou,
• Mario Inclán,
• Petros Giastas,
• Athanasios Papakyriakou,
• Konstantina Yannakopoulou and
• Irene M. Mavridis

Beilstein J. Org. Chem. 2017, 13, 1572–1582, doi:10.3762/bjoc.13.157

• days, produced crystals that could not be refined by isomorphous replacement using the coordinates of hydrated β-CD or other isomorphous crystals, as above. Structure determination. Low temperature X-ray data were collected at synchrotron radiation light sources. A single crystal, covered with a drop

Mechanochemical synthesis of graphene oxide-supported transition metal catalysts for the oxidation of isoeugenol to vanillin

• Ana Franco,
• Sudipta De,
• Alina M. Balu,
• Araceli Garcia and
• Rafael Luque

Beilstein J. Org. Chem. 2017, 13, 1439–1445, doi:10.3762/bjoc.13.141

• diffraction experiments were performed on a Pan-Analytic/Philips X`pert MRD diffractometer (40 kV, 30 mA) with Cu Kα (λ = 0.15418) radiation. Scans were performed over a 2θ range between 10–80° at step size of 0.0188 with a counting time per step of 5 s. TEM images of the samples were recorded on JEM 2010F

A speedy route to sterically encumbered, benzene-fused derivatives of privileged, naturally occurring hexahydropyrrolo[1,2-b]isoquinoline

• Olga Bakulina,
• Alexander Ivanov,
• Vitalii Suslonov,
• Dmitry Dar’in and
• Mikhail Krasavin

Beilstein J. Org. Chem. 2017, 13, 1413–1424, doi:10.3762/bjoc.13.138

• HRMS-ESI-qTOF spectrometer (electrospray ionization mode). X-ray single crystal analyses were performed with monochromated Mo Kα or Cu Kα radiation, respectively. Column chromatography was performed on silica gel 60 (230–400 mesh). For TLC analysis UV254 silica gel coated plates were used. MeCN was

Detection of therapeutic radiation in three-dimensions

• John A. Adamovics

Beilstein J. Org. Chem. 2017, 13, 1325–1331, doi:10.3762/bjoc.13.129

• John A. Adamovics Department of Chemistry, Biochemistry and Physics, Rider University, 2083 Lawrenceville Road, Lawrenceville, NJ 08648-3099, USA 10.3762/bjoc.13.129 Abstract For over the last twenty years there has been a multitude of sophisticated three-dimensional radiation delivery procedures

• developed which requires a corresponding verification of the impact on patients. This article reviews the state of the art in the development of chemical detectors used to characterize the three-dimensional shape of therapeutic radiation. These detectors are composed of polyurethane, radical initiator and a

• leuco dye, which is radiolytically oxidized to a dye absorbing at 630 nm. Keywords: dosimeters; leuco dyes; polymers; radiation; triarylmethane synthesis; Introduction Radiotherapy treatment is a complex 3D process, which is the principle treatment modality for most cancers [1]. The two main types of