Strecker degradation of amino acids promoted by a camphor-derived sulfonamide

• M. Fernanda N. N. Carvalho,
• M. João Ferreira,
• Ana S. O. Knittel,
• Maria da Conceição Oliveira,
• João Costa Pessoa,
• Rudolf Herrmann and
• Gabriele Wagner

Beilstein J. Org. Chem. 2016, 12, 732–744, doi:10.3762/bjoc.12.73

• done with the program PCGamess (version 7.1) [40][41], using B3LYP/6-31G** for neutral compounds and B3LYP/6-31++G** for anions. Zero-point energies and basis set superposition errors were not included since no high precision numerical results were needed. Data analysis and visualization was done with

Polydisperse methyl β-cyclodextrin–epichlorohydrin polymers: variable contact time ¹³C CP-MAS solid-state NMR characterization

• Isabelle Mallard,
• Davy Baudelet,
• Franca Castiglione,
• Monica Ferro,
• Walter Panzeri,
• Enzio Ragg and
• Andrea Mele

Beilstein J. Org. Chem. 2015, 11, 2785–2794, doi:10.3762/bjoc.11.299

• , while for times longer than 250 μs the value of the increment was progressively increased. All the experiments were performed at 298 K. The data analysis was performed using the OriginPro software (9.0 version). The NMR spectra were deconvoluted using OriginPro software (9.0 version). Each peak was

Bromotyrosine-derived alkaloids from the Caribbean sponge Aplysina lacunosa

• Qun Göthel,
• Thanchanok Sirirak and
• Matthias Köck

Beilstein J. Org. Chem. 2015, 11, 2334–2342, doi:10.3762/bjoc.11.254

• aplysinin B (3), together with 15 known compounds (4–18) were isolated from the sponge Aplysina lacunosa collected from Stirrup Cay, Bahamas. The structures of the isolated compounds were identified on the basis of MS and NMR data analysis. The 13C NMR assignment of spirocyclohexadienylisoxazoline moieties

Cholesterol lowering effects of mono-lactose-appended β-cyclodextrin in Niemann–Pick type C disease-like HepG2 cells

• Keiichi Motoyama,
• Yumi Hirai,
• Rena Nishiyama,
• Yuki Maeda,
• Taishi Higashi,
• Yoichi Ishitsuka,
• Yuki Kondo,
• Tetsumi Irie,
• Takumi Era and
• Hidetoshi Arima

Beilstein J. Org. Chem. 2015, 11, 2079–2086, doi:10.3762/bjoc.11.224

• cells was detected by a KEYENCE Biozero BZ-8000, a fluorescence microscope. The fluorescence intensities were determined by a BZ-II analyzer (Keyence, Osaka, Japan). Data analysis The experimental results are shown as means ± S.E.M. Significance levels for comparisons between samples were determined

Cross-metathesis of polynorbornene with polyoctenamer: a kinetic study

• Yulia I. Denisova,
• Maria L. Gringolts,
• Alexander S. Peregudov,
• Liya B. Krentsel,
• Ekaterina A. Litmanovich,
• Arkadiy D. Litmanovich,
• Eugene Sh. Finkelshtein and
• Yaroslav V. Kudryavtsev

Beilstein J. Org. Chem. 2015, 11, 1796–1808, doi:10.3762/bjoc.11.195

• data analysis undertaken in the present study makes it possible to outline the cross-metathesis scenario for the mixtures of PCOE and PNB in the presence of the Gr-1 catalyst. Contrary to the situation with a corresponding monomer mixture, where this catalyst first initiates vigorous polymerization of

Azobenzene-based inhibitors of human carbonic anhydrase II

• Leander Simon Runtsch,
• David Michael Barber,
• Peter Mayer,
• Michael Groll,
• Dirk Trauner and
• Johannes Broichhagen

Beilstein J. Org. Chem. 2015, 11, 1129–1135, doi:10.3762/bjoc.11.127

• purification, crystallization and binding data analysis. P.M. collected X-ray datasets of 1a–i and solved the structures. M.G. collected hCAII X-ray dataset and solved the structure. J.B., D.M.B and D.T. wrote the manuscript with input from all authors.

Adsorption mechanism and valency of catechol-functionalized hyperbranched polyglycerols

• Stefanie Krysiak,
• Qiang Wei,
• Klaus Rischka,
• Andreas Hartwig,
• Rainer Haag and
• Thorsten Hugel

Beilstein J. Org. Chem. 2015, 11, 828–836, doi:10.3762/bjoc.11.92

• Inverse Optical Lever Sensitivity (InvOLS) of the functionalized cantilever was determined from the indentation slope and the spring constant calibrated with the thermal noise method according to [30]. The tip velocity was 1 µm/s and the standard dwell time was 1 s. Data analysis The data handling and

Mechanical stability of bivalent transition metal complexes analyzed by single-molecule force spectroscopy

• Manuel Gensler,
• Christian Eidamshaus,
• Maurice Taszarek,
• Hans-Ulrich Reissig and
• Jürgen P. Rabe

Beilstein J. Org. Chem. 2015, 11, 817–827, doi:10.3762/bjoc.11.91

• constant velocities between 100 nm/s and 10 µm/s using a grid of different spots on the surface. Force–distance curves were processed as described in [27]. In short, signals were fitted according to the wormlike-chain model using Hooke, a Python-based force spectroscopy data analysis program [56]. Most

Probing multivalency in ligand–receptor-mediated adhesion of soft, biomimetic interfaces

• Stephan Schmidt,
• Hanqing Wang,
• Daniel Pussak,
• Simone Mosca and
• Laura Hartmann

Beilstein J. Org. Chem. 2015, 11, 720–729, doi:10.3762/bjoc.11.82

• internal reflections and a Zeiss AxiocamHRm camera were used to image the RICM patterns. To conduct the JKR measurements of the adhesion energies, both the contact radius and the particle radius were measured. Image processing and data analysis were done using the image analysis software ImageJ (public

Fluoride-driven ‘turn on’ ESPT in the binding with a novel benzimidazole-based sensor

• Kai Liu,
• Xiaojun Zhao,
• Qingxiang Liu,
• Jianzhong Huo,
• Bolin Zhu and
• Shihua Diao

Beilstein J. Org. Chem. 2015, 11, 563–567, doi:10.3762/bjoc.11.61

• ). Synthesis of sensor BIP. Possible binding mode between BIP and fluoride. Supporting Information Supporting Information File 242: Data analysis of QP after the addition of fluoride. Acknowledgements Authors thank the Tianjin Science & Technology Development Fund Planning Project for Colleges and

Effects of RAMEA-complexed polyunsaturated fatty acids on the response of human dendritic cells to inflammatory signals

• Éva Rajnavölgyi,
• Renáta Laczik,
• Viktor Kun,
• Lajos Szente and
• Éva Fenyvesi

Beilstein J. Org. Chem. 2014, 10, 3152–3160, doi:10.3762/bjoc.10.332

• , USA). Fluorescence intensities were measured with FACSCalibur (BD Biosciences). Data analysis was performed with the FlowJo software (Tree Star, Ashland, OR, USA). Determination of GPR120 expression levels GPR120 expression levels were measured by real-time quantitative PCR (Q-PCR). Total RNA was

Synthesis of uniform cyclodextrin thioethers to transport hydrophobic drugs

• Lisa F. Becker,
• Dennis H. Schwarz and
• Gerhard Wenz

Beilstein J. Org. Chem. 2014, 10, 2920–2927, doi:10.3762/bjoc.10.310

• were measured at room temperature by a BrukerBioSpin spectrometer Magnet System 400 MHz Ultra shield plus (1H: 400 MHz, 13C: 100.6 MHz). The chemical shifts are given in parts per million (ppm) in relation to the corresponding solvent signal. The data analysis was performed with SpecManager included in

Preparation and evaluation of cyclodextrin polypseudorotaxane with PEGylated liposome as a sustained release drug carrier

• Kayoko Hayashida,
• Taishi Higashi,
• Daichi Kono,
• Keiichi Motoyama,
• Koki Wada and
• Hidetoshi Arima

Beilstein J. Org. Chem. 2014, 10, 2756–2764, doi:10.3762/bjoc.10.292

• . Korsmeyer–Peppas’s model where Mt/M∞ is fraction of drug release at time t, kP is the release rate constant, and n is the release exponent. Data analysis Data were given as the mean ± S.E. The statistical significance of mean coefficients for the studies was performed by analysis of variance followed by

Towards the sequence-specific multivalent molecular recognition of cyclodextrin oligomers

• Michael Kurlemann and
• Bart Jan Ravoo

Beilstein J. Org. Chem. 2014, 10, 2428–2440, doi:10.3762/bjoc.10.253

• before use. The data were analysed using NanoAnalyse Data Analysis version 2.36 (TA Instruments, Waters Corp., Milford, Massachusetts, USA), Microsoft® Excel version 14.07113.5005 as part of Microsoft® Office Professional Plus 2010 (Microsoft Corp., Redmond, Washington, USA) and OriginPro 9.1.0G

The effect of permodified cyclodextrins encapsulation on the photophysical properties of a polyfluorene with randomly distributed electron-donor and rotaxane electron-acceptor units

• Aurica Farcas,
• Ana-Maria Resmerita,
• Pierre-Henri Aubert,
• Flavian Farcas,
• Iuliana Stoica and
• Anton Airinei

Beilstein J. Org. Chem. 2014, 10, 2145–2156, doi:10.3762/bjoc.10.222

• Edinburgh FLS 980 photoluminescence spectrometer with 1 cm quartz cells. A 375 nm pulsed diode laser (EPL-375, maximum average power: 5 mW, pulse width: 73.2 ps) was used as a light source. Decay data analysis was performed by the deconvolution procedure with multiexponential decay models. The quality of

Multichromophoric sugar for fluorescence photoswitching

• Stéphane Maisonneuve,
• Rémi Métivier,
• Pei Yu,
• Keitaro Nakatani and
• Juan Xie

Beilstein J. Org. Chem. 2014, 10, 1471–1481, doi:10.3762/bjoc.10.151

• Urbana-Champaign, which includes reconvolution analysis and non-linear least-squares minimization method. The shortest fluorescence decay time accessible by our instrumental set-up and our data analysis method was estimated to be around 10 ps (time-resolution). Methyl 2,3,4-tri-O-propargyl-6-O-trityl-α-D

A new building block for DNA network formation by self-assembly and polymerase chain reaction

• Holger Bußkamp,
• Sascha Keller,
• Marta Robotta,
• Malte Drescher and
• Andreas Marx

Beilstein J. Org. Chem. 2014, 10, 1037–1046, doi:10.3762/bjoc.10.104

• -1), we gratefully acknowledge Sebastian Höfel´s contribution to EPR data analysis.

Synthesis, characterization and initial evaluation of 5-nitro-1-(trifluoromethyl)-3H-1λ³,2-benziodaoxol-3-one

• Nico Santschi,
• Roman C. Sarott,
• Elisabeth Otth,
• Reinhard Kissner and
• Antonio Togni

Beilstein J. Org. Chem. 2014, 10, 1–6, doi:10.3762/bjoc.10.1

• description of the 19F NMR monitoring experiments and data analysis. Acknowledgements This work was supported by ETH Zürich. C. Mensing is gratefully acknowledged for recording the DSC traces.

Silica sulfuric acid: a reusable solid catalyst for one pot synthesis of densely substituted pyrrole-fused isocoumarins under solvent-free conditions

• Sudipta Pathak,
• Kamalesh Debnath and
• Animesh Pramanik

Beilstein J. Org. Chem. 2013, 9, 2344–2353, doi:10.3762/bjoc.9.269

• carrying out the reaction succesfully even with aliphatic amines. The structures of the new products 8a–o were determined by using spectroscopic data and elemental analysis. X-ray crystal data analysis of compound 8c further confirmed the product formation (Figure 1). The formation of products 5a–l was

Structure elucidation of β-cyclodextrin–xylazine complex by a combination of quantitative ¹H–¹H ROESY and molecular dynamics studies

• Syed Mashhood Ali,
• Kehkeshan Fatma and
• Snehal Dhokale

Beilstein J. Org. Chem. 2013, 9, 1917–1924, doi:10.3762/bjoc.9.226

• strength of the crosspeak is proportional to the inverse sixth power of the distance between the interacting nuclei, I 1/r6. However, for quantitative ROESY data analysis, one must understand the consequences of spin diffusion which occurs primarily for large molecules and long mixing times outside the

Gallium-containing polymer brush film as efficient supported Lewis acid catalyst in a glass microreactor

• Rajesh Munirathinam,
• Roberto Ricciardi,
• Richard J. M. Egberink,
• Jurriaan Huskens,
• Michael Holtkamp,
• Herbert Wormeester,
• Uwe Karst and
• Willem Verboom

Beilstein J. Org. Chem. 2013, 9, 1698–1704, doi:10.3762/bjoc.9.194

• nm, with spectral resolution of about 2 nm both Psi and Delta were recorded as well as the intensity and amount of depolarization of the reflected light. The Complete EASE v.4.64 software package (J.A. Woolam Co., Inc.); was used to both control the instrument as well as for data analysis and

Tricyclic flavonoids with 1,3-dithiolium substructure

• Lucian G. Bahrin,
• Peter G. Jones and
• Henning Hopf

Beilstein J. Org. Chem. 2012, 8, 1999–2003, doi:10.3762/bjoc.8.226

• on the magnitude of their coupling constants. Moreover, it is reasonable to assume that the most stable isomer is that with an anti orientation of the two hydrogen atoms (e.g., 6′, Figure 2). The coupling constants and diastereoisomeric ratios of flavonoids 6 are presented in Table 2. Data analysis

The Amadori rearrangement as glycoconjugation method: Synthesis of non-natural C-glycosyl type glycoconjugates

• Katharina Gallas,
• Gerit Pototschnig,
• Florian Adanitsch,
• Arnold E. Stütz and
• Tanja M. Wrodnigg

Beilstein J. Org. Chem. 2012, 8, 1619–1629, doi:10.3762/bjoc.8.185

• mixture it was obvious that the predominant product was the β-anomer of D-glycero-D-galacto-aldoheptose. This was verified by 1H NMR data analysis, the β-anomer presenting a coupling constant of J1,2 = 7.8 Hz between protons H-1 and H-2. The Amadori rearrangement with dibenzylamine gave 1-(N,N

An easily accessible sulfated saccharide mimetic inhibits in vitro human tumor cell adhesion and angiogenesis of vascular endothelial cells

• Grazia Marano,
• Claas Gronewold,
• Martin Frank,
• Anette Merling,
• Christian Kliem,
• Sandra Sauer,
• Manfred Wiessler,
• Eva Frei and
• Reinhard Schwartz-Albiez

Beilstein J. Org. Chem. 2012, 8, 787–803, doi:10.3762/bjoc.8.89

• by either BGF, 3,4-bis(hydroxymethyl)furan, or methyl β-D-galactopyranoside was observed. In both experiments data analysis by two-way ANOVA showed significance for substance and concentration both with p < 0.001. The extent of inhibition of adhesion to fibronectin by GSF was weaker than to

Carbamate derivatives and sesquiterpenoids from the South China Sea gorgonian Melitodes squamata

• Li-Si Huang,
• Fei He,
• Hui Huang,
• Xiao-Yong Zhang and
• Shu-Hua Qi

Beilstein J. Org. Chem. 2012, 8, 170–176, doi:10.3762/bjoc.8.18

• ), 114.5 (C-4), 121.8 (C-6’), 124.0 (C-2’), suggest that the four –NH groups are attached at C-1, C-3, C-1’, C-3’ of two aromatic rings. Based on the above data analysis, the structure of 1 was elucidated to be as shown above and named as obtucarbamate C. Compound 2 also exhibited the molecular formula of

• amidation position of the two molecules of 4. Based on the 1H NMR, 13C NMR HSQC, HMBC and 1H–1H COSY spectral data analysis, the structure of 2 was elucidated to be as shown above and named as obtucarbamate D. Urea derivatives are closely related in structure to carbamates. Urea is synthesized in the body