Aromatic systems with two and three pyridine-2,6-dicarbazolyl-3,5-dicarbonitrile fragments as electron-transporting organic semiconductors exhibiting long-lived emissions

• Karolis Leitonas,
• Brigita Vigante,
• Dmytro Volyniuk,
• Audrius Bucinskas,
• Pavels Dimitrijevs,
• Sindija Lapcinska,
• Pavel Arsenyan and
• Juozas Vidas Grazulevicius

Beilstein J. Org. Chem. 2023, 19, 1867–1880, doi:10.3762/bjoc.19.139

• analysis (TGA) and differential scanning calorimetry (DSC), respectively. The experimental data are shown in Figure 5 and the characteristics are collected in Table 1. An amorphous character of the derivatives was identified. No endothermic (melting) or exothermic (crystallization) transitions were

• observed during the 1st and 2nd DSC heating and cooling scans. However, glass transitions were detected for all the studied compounds. The glass transition temperatures (Tg) fall in the range between 63 and 93 °C (Figure 5b). A correlation between the glass transition temperature and the molecular weight

• , 126.80, 125.76, 124.23, 116.61, 114.09, 112.40, 99.15, 90.69, 34.93, 31.83; Anal. calcd for C171H159N15: C, 84.72; H, 6.61; N, 8.67; found: C, 84.54; H, 6.60; N, 8.55. Measurements In this experimental investigation, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were

Effects of the aldehyde-derived ring substituent on the properties of two new bioinspired trimethoxybenzoylhydrazones: methyl vs nitro groups

• Dayanne Martins,
• Roberta Lamosa,
• Talis Uelisson da Silva,
• Carolina B. P. Ligiero,
• Sérgio de Paula Machado,
• Daphne S. Cukierman and
• Nicolás A. Rey

Beilstein J. Org. Chem. 2023, 19, 1713–1727, doi:10.3762/bjoc.19.125

• the Federal Fluminense University (LDRX-UFF: http://ldrx.sites.uff.br/) for the X-ray diffraction facilities. Funding SPM, DSC and NAR thank the scientific Brazilian funding agency CNPq (Conselho Nacional de Desenvolvimento Científico e Tecnológico) - 304105/2021-0, 150898/2022-3 and 306866/2021-8

A deep-red fluorophore based on naphthothiadiazole as emitter with hybridized local and charge transfer and ambipolar transporting properties for electroluminescent devices

• Suangsiri Arunlimsawat,
• Patteera Funchien,
• Pongsakorn Chasing,
• Atthapon Saenubol,
• Taweesak Sudyoadsuk and
• Vinich Promarak

Beilstein J. Org. Chem. 2023, 19, 1664–1676, doi:10.3762/bjoc.19.122

• scanning calorimetry (DSC) under N2 atmosphere at a scanning rate of 10 °C min−1. As displayed in Figure 5a, the compound has a high thermal stability with a decomposition temperature at 5% weight loss (T5d) of 498 °C, a glass transition temperature (Tg) of 236 °C, and a melting temperature (Tm) of 376 °C

• , and Ag/AgCl) in dry CH2Cl2 containing 0.1 M n-Bu4NPF6 as a supporting electrolyte under argon. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were recorded using a Rigaku STA8122 thermogravimetric analyzer and a PerkinElmer DSC 8500 Lab System, respectively. Melting

• illumination). a) DSC and TGA thermograms measured at a heating rate of 10 °C min−1 under N2 flow. b) Cyclic voltammogram (CV) and differential pulse voltammogram (DPV) analyzed in dry CH2Cl2 at a scan rate of 50 mV s−1 under an argon atmosphere (insert: HOMO/HOMO−1/LUMO orbitals). a) Schematic structure of

Cyclodextrins permeabilize DPPC liposome membranes: a focus on cholesterol content, cyclodextrin type, and concentration

• Ghenwa Nasr,
• Hélène Greige-Gerges,
• Sophie Fourmentin,
• Abdelhamid Elaissari and
• Nathalie Khreich

Beilstein J. Org. Chem. 2023, 19, 1570–1579, doi:10.3762/bjoc.19.115

• chains of the phospholipid and the CD molecules where many α-CD units string along the nonpolar chains of DPPC forming a rotaxane-like ring [11]. DSC studies have also proved that α-CD forms an insoluble complex with DPPC [22]. Besides, α-CD has previously demonstrated the strongest destabilizing effect

Organic thermally activated delayed fluorescence material with strained benzoguanidine donor

• Alexander C. Brannan,
• Elvie F. P. Beaumont,
• Nguyen Le Phuoc,
• George F. S. Whitehead,
• Mikko Linnolahti and
• Alexander S. Romanov

Beilstein J. Org. Chem. 2023, 19, 1289–1298, doi:10.3762/bjoc.19.95

• material 4CzIPN, having a Td in the range of 402–449 °C (Td range is dependent on the type of the 4CzIPN polymorph) [11][12]. Differential scanning calorimetry (DSC) shows an endothermic process in the range of 237 to 265 °C which can be associated with the glass transition temperature (Tg) for the

Discrimination of β-cyclodextrin/hazelnut (Corylus avellana L.) oil/flavonoid glycoside and flavonolignan ternary complexes by Fourier-transform infrared spectroscopy coupled with principal component analysis

• Nicoleta G. Hădărugă,
• Gabriela Popescu,
• Dina Gligor (Pane),
• Cristina L. Mitroi,
• Sorin M. Stanciu and
• Daniel Ioan Hădărugă

Beilstein J. Org. Chem. 2023, 19, 380–398, doi:10.3762/bjoc.19.30

• the level of degradation compounds were determined by thermal methods (thermogravimetry-differential thermogravimetry, TG–DTG, and differential scanning calorimetry, DSC) and gas chromatography–mass spectrometry (GC–MS), respectively. The addition of sodium caseinate during the CD complexation of fish

• was demonstrated by both thermal (TG–DTG and DSC) and chromatographic (GC–MS for the degradation compounds, i.e., aldehydes, formylated carboxylic acids, or dicarboxylic acids) methods [16]. Also, vegetable oils containing unsaturated FA moieties were stabilized by CD complexation. Common bean

• , especially by DSC. Both TG–DTG and DSC thermal analyses provide information about the molecular inclusion of guest molecules into the β-CD cavity. Unfortunately, these methods cannot differentiate between the encapsulated components and their entrapment efficiency. However, the goal of the study was the

Investigation of cationic ring-opening polymerization of 2-oxazolines in the “green” solvent dihydrolevoglucosenone

• Solomiia Borova and
• Robert Luxenhofer

Beilstein J. Org. Chem. 2023, 19, 217–230, doi:10.3762/bjoc.19.21

• from 25 °C to 900 °C with a 10 K/min heating rate and the mass loss measured. The resulting data were evaluated with the NETZSCH Proteus – Thermal Analysis – V.5.2.1 software. Dynamic scanning calorimetry (DSC) was performed on a DSC 204F1 Phoenix (NETZSCH, Selb, Germany) under a N2 atmosphere (20.0 mL

• Information File 1). The analyzed product exhibited a glass transition temperature (Tg) at 140 °C, and no melting point was observed by DSC (Figure S5b, Supporting Information File 1), pointing to an amorphous nature of the resulting material. Incubation of EtOx with DLG at 90 °C showed no new signals in the

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

• thermogravimetric analyses (TGA) and differential scanning calorimetry (DSC) analyses for the four CD inclusion complexes (Figure 5a–d) primarily indicated their water content and thermal stability, the data for their thermal events being summarised in Table 1. These results were further accompanied by hot stage

• correlate when comparing the results obtained from the TGA and DSC instruments, but the two methods did involve different sample configurations (samples in open pans vs crimped, vented pans). For all four complexes dehydration was initially observed, either as a multi- or single-step process, as confirmed

• by the respective DSC curves (Figures S15–S18 in Supporting Information File 1) and dTGA curves (Figures S19–S22 in Supporting Information File 1). Other thermal events such as minor phase transitions were observed for β-CD·BES and β-CD·PRO as well as premature decomposition, displayed by β-CD·BES in

Introducing a new 7-ring fused diindenone-dithieno[3,2-b:2',3'-d]thiophene unit as a promising component for organic semiconductor materials

• Valentin H. K. Fell,
• Joseph Cameron,
• Alexander L. Kanibolotsky,
• Eman J. Hussien and
• Peter J. Skabara

Beilstein J. Org. Chem. 2022, 18, 944–955, doi:10.3762/bjoc.18.94

• was determined [62]. Thermal properties An uncorrected melting point of EtH-T-DI-DTT was measured to be 230 °C. The DSC curve, shown in Figure S19 in Supporting Information File 1, shows a maximum at 214 °C, and apart from that no other phase transitions, which means that the material does not change

In-depth characterization of self-healing polymers based on π–π interactions

• Josefine Meurer,
• Julian Hniopek,
• Johannes Ahner,
• Michael Schmitt,
• Jürgen Popp,
• Stefan Zechel,
• Kalina Peneva and
• Martin D. Hager

Beilstein J. Org. Chem. 2021, 17, 2496–2504, doi:10.3762/bjoc.17.166

• differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The TGA revealed a high thermal stability up to a temperature of 370 °C (for curves see Supporting Information File 1). The temperature was determined at a residual mass of 95%. The DSC on the other hand indicates several thermal

• transition is associated with the endothermic signal measured in the DSC and based on the activation of the π–π interactions. Such a behavior could also be observed for other supramolecular polymers; however, the temperature window, in which the drop of the storage and loss moduli occurred, is rather small

• transition at 125–130 °C, no crossover of G' and G'' could be observed indicating no active supramolecular bonds. Furthermore, at this temperature (80 °C) G' is higher than G'' indicating a network structure of the polymers. This finding correlates with the DSC results, since the π–π interactions are not

Exfoliated black phosphorous-mediated CuAAC chemistry for organic and macromolecular synthesis under white LED and near-IR irradiation

• Azra Kocaarslan,
• Zafer Eroglu,
• Önder Metin and
• Yusuf Yagci

Beilstein J. Org. Chem. 2021, 17, 2477–2487, doi:10.3762/bjoc.17.164

• differential scanning calorimetry (DSC). The DSC thermogram shows two exothermic peaks at 220.38 and 241.74 °C, corresponding to the photo click cure reaction in two stages (Figure 6a). Since a complete reaction of all the azide groups could not occur during the dynamic ramping of temperature, the residual

• copolymer (Ps-b-PCL). a) DSC thermogram of photoinduced synthesis of nanocomposite networks (heating rate: 10 °C/min). b) FTIR spectra of Alk-5, Az-3 monomers and the corresponding cross-linked polymer. (a, b) TEM images of cross-linked polymer at two different magnifications, c) HAADF-STEM image and d) the

Mesoionic tetrazolium-5-aminides: Synthesis, molecular and crystal structures, UV–vis spectra, and DFT calculations

• Vladislav A. Budevich,
• Sergei V. Voitekhovich,
• Alexander V. Zuraev,
• Vadim E. Matulis,
• Vitaly E. Matulis,
• Alexander S. Lyakhov,
• Ludmila S. Ivashkevich and
• Oleg A. Ivashkevich

Beilstein J. Org. Chem. 2021, 17, 385–395, doi:10.3762/bjoc.17.34

• -(methylsulfonyl)-1-phenyl-1H-tetrazole with substitution of bromine and methylsulfonyl groups giving the corresponding tetrazolium salts or conjugate aminides. The obtained mesoionic tetrazoles have been characterized by elemental analysis, FTIR, NMR, and UV–vis spectroscopy, TGA/DSC analysis and for 1,3-di-tert

• solvatochromism, that is discussed in more detail in the theoretical section. The 13C NMR shift of the C5 endocyclic atom for aminides 8 is observed at 162.1–163.1 ppm in DMSO-d6. For the parent 5-aminotetrazolium salts, this chemical shift is found at 156.5–158.3 ppm in the same solvent. The TGA/DSC data show

• and 5-(methylsulfonyl)-1-phenyl-1H-tetrazole and substitute bromine and methylsulfonyl groups giving tetrazolium salts or conjugate aminides. The obtained mesoionic tetrazoles have been characterized by elemental analysis, FTIR, NMR and UV–vis spectroscopy, TGA/DSC analysis, and for 1,3-di-tert

Tuning the solid-state emission of liquid crystalline nitro-cyanostilbene by halogen bonding

• Subrata Nath,
• Alexander Kappelt,
• Matthias Spengler,
• Bibhisan Roy,
• Jens Voskuhl and
• Michael Giese

Beilstein J. Org. Chem. 2021, 17, 124–131, doi:10.3762/bjoc.17.13

• subsequent drying in vacuo yielded the desired assemblies. The mesomorphic behaviour of the assemblies was investigated by polarised optical microscopy (POM) and differential scanning calorimetry (DSC). It should be noted that the individual building blocks F4St and F4Az as well as NO2-C8 and NO2-C9 do not

• azo benzenes with different fluorination patterns was synthesised (F4Az, F3Az, F2Az, F2’Az) and combined with NO2-C10 in CH2Cl2. Upon removal of the solvent the material was investigated with respect to its mesomorphic behaviour using POM and DSC. In a simplified view, the experimental data is in line

• gradually decreases with increasing temperature. At 70 °C, the fluorescence is almost completely quenched. This temperature correlates with the transition from the crystalline phase to the liquid crystalline phase as observed by POM and DSC. The further heating to 110 °C did not yield significant changes in

Dirhamnolipid ester – formation of reverse wormlike micelles in a binary (primerless) system

• David Liese,
• Hans Henning Wenk,
• Xin Lu,
• Jochen Kleinen and
• Gebhard Haberhauer

Beilstein J. Org. Chem. 2020, 16, 2820–2830, doi:10.3762/bjoc.16.232

• (DSC) analysis was performed to obtain some more information about the interactions that are responsible for the gel-like behavior. Five heating and cooling cycles were recorded for the gemini surfactant 7/toluene system (5 wt %). The DSC curves (Figure S5 in Supporting Information File 1) once again

• cooling phase, the exothermic formation of the network is indicated by a maximum at 42 °C. This hysteresis of ΔT = 3 °C is consistent with the results obtained from the rheological measurements. Furthermore, the melting and gel formation enthalpies were extracted from the DSC data (Table S2, Supporting

• reverse wormlike micelles, whereas most surfactants need to be purified, e.g., by recrystallization [54]. Also, the prototype of reverse micelles, organogels by lecithin, has high expectations towards the purity of the molecules [19]. Experimental Differential scanning calorimetry DSC data were obtained

Synthesis and properties of quinazoline-based versatile exciplex-forming compounds

• Rasa Keruckiene,
• Simona Vekteryte,
• Ervinas Urbonas,
• Matas Guzauskas,
• Eigirdas Skuodis,
• Dmytro Volyniuk and
• Juozas V. Grazulevicius

Beilstein J. Org. Chem. 2020, 16, 1142–1153, doi:10.3762/bjoc.16.101

• mass spectrometry. All compounds 1–3 were obtained as crystalline substances. The thermal characteristics were determined by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). During the first DSC heating scan (Figure 1a–c), melting signals of compounds 1–3 were detected in

• . Phosphorescence spectra were recorded at 77 K. Differential scanning calorimetry (DSC) measurements were carried out using a TA Instruments Q2000 thermosystem. The samples were examined at a heating/cooling rate of 10 °C/min under a nitrogen atmosphere. Thermogravimetric analysis (TGA) was performed with a TA

• (DSC); 1H NMR (400 MHz, CDCl3) δ 8.18 (d, J = 7.1 Hz, 2H), 8.09 (t, J = 7.5 Hz, 2H), 8.00 (s, 4H), 7.87–7.69 (m, 4H), 7.53 (dd, J = 9.5, 6.3 Hz, 3H), 7.38 (d, J = 8.5 Hz, 4H), 7.25 (d, J = 8.5 Hz, 4H), 6.86 (t, J = 8.5 Hz, 1H), 1.37 (s, 36H); 13C NMR (101 MHz, CDCl3) δ 165.01, 161.01, 156.01, 149.40

The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts

• Svetlana A. Kuznetsova,
• Alexander S. Gak,
• Yulia V. Nelyubina,
• Vladimir A. Larionov,
• Han Li,
• Michael North,
• Vladimir P. Zhereb,
• Alexander F. Smol'yakov,
• Artem O. Dmitrienko,
• Michael G. Medvedev,
• Igor S. Gerasimov,
• Ashot S. Saghyan and
• Yuri N. Belokon

Beilstein J. Org. Chem. 2020, 16, 1124–1134, doi:10.3762/bjoc.16.99

• crystals were a typical druse setup. Type 2 were well-formed, nonisotropic crystals with two parallel planes in varying sizes (0.3 × 0.4 × 1 mm). The thermogravimetric analysis and differential scanning calorimetry (TGA-DSC) of F-1 was conducted to examine its thermal properties. The TGA curve of the bulk

• material F-1 was prepared and characterized by X-ray diffraction, TGA-DSC, elemental analysis, and 1H NMR spectroscopy. One important role played by NDS was that the crystalline three-dimensional CAHOF F-1 was supported by hydrogen bonds between the sulfonate anions and the ammonium cations of NDS and TAPM

• groups, were omitted for clarity. Only the labels of symmetry-independent heteroatoms are shown. SEM image of F-1. SEM image of F-1 with an F-1a phase. TGA-DSC analysis of a sample of F-1. The TGA plot is shown in green, the DSC curve is shown in blue, and the first differential of the DSC curve is shown

Synthesis of novel multifunctional carbazole-based molecules and their thermal, electrochemical and optical properties

• Nuray Altinolcek,
• Ahmet Battal,
• Mustafa Tavasli,
• William J. Peveler,
• Holly A. Yu and
• Peter J. Skabara

Beilstein J. Org. Chem. 2020, 16, 1066–1074, doi:10.3762/bjoc.16.93

• yields (Scheme 1). Compounds 7a and 7b were fully characterised by NMR, FTIR, MS, elemental analysis, TGA, DSC, CV, and absorption and emission spectroscopy. The data are given in Supporting Information File 1. Thermal properties The thermal properties of compounds 7a and 7b were investigated by

• thermogravimetric analyses (TGA) and differential scanning calorimetry (DSC). For TGA, compounds 7a and 7b were heated at 20 °C/min under nitrogen atmosphere. The decomposition temperatures (Td5%) corresponding to 5% weight losses for 7a and 7b were 291 °C and 307 °C, respectively. For DSC, compounds 7a and 7b were

• first heated to 450 °C and then cooled down to room temperature at 20 °C/min under a nitrogen atmosphere. Compounds 7a and 7b showed only clear melting transitions (Tm) at 95 °C and 86 °C, respectively. Upon first cooling and second heating, no phase transitions were observed at all. TGA and DSC curves

Aryl-substituted acridanes as hosts for TADF-based OLEDs

• Naveen Masimukku,
• Dalius Gudeika,
• Oleksandr Bezvikonnyi,
• Ihor Syvorotka,
• Rasa Keruckiene,
• Dmytro Volyniuk and
• Juozas V. Grazulevicius

Beilstein J. Org. Chem. 2020, 16, 989–1000, doi:10.3762/bjoc.16.88

• higher dihedral angles of 52.3° as compared to compounds 3, 5, and 6. The highest occupied molecular orbitals (HOMOs) and the lowest unoccupied molecular orbitals (LUMOs) of 3–6 are distributed over the entire molecules. Thermal properties The behavior under heating of derivatives 3–6 was examined by DSC

• , derivatives 3–5 could also form molecular glasses. The DSC thermograms of compound 4 are shown in Figure 2a. The crystalline sample of 4 melted at 201 °C on the first heating. The melt transformed into a solid amorphous material upon cooling. When the amorphous sample was heated on the second scan, the glass

• of 79 °C in the second heating, followed by an exothermic Tcr at 102 °C. Derivative 6 demonstrated different behavior in the DSC experiments. The DSC thermograms of 6 are shown in Figure 2b. The crystalline sample of 6 melted at 186 °C on the first heating and on cooling, the melted sample

Synthesis of organic liquid crystals containing selectively fluorinated cyclopropanes

• Zeguo Fang,
• Nawaf Al-Maharik,
• Peer Kirsch,
• Matthias Bremer,
• Alexandra M. Z. Slawin and
• David O’Hagan

Beilstein J. Org. Chem. 2020, 16, 674–680, doi:10.3762/bjoc.16.65

• –11a With the four difluorocyclopropanes 8–11a in hand, our attention focused on an experimental evaluation of their thermodynamic and physical properties, such as birefringence (Δn) and dielectric anisotropy (Δε). DSC and POM analysis (Table 1) indicated that only compounds 8 and 9 exhibited smectic

The use of isoxazoline and isoxazole scaffolding in the design of novel thiourea and amide liquid-crystalline compounds

• Itamar L. Gonçalves,
• Rafaela R. da Rosa,
• Vera L. Eifler-Lima and
• Aloir A. Merlo

Beilstein J. Org. Chem. 2020, 16, 175–184, doi:10.3762/bjoc.16.20

• differential scanning calorimetry (DSC). Results and Discussion Synthesis In order to generate molecular structural diversity in thioureas, three sets of amines carrying 5-membered isoxazolines/isoxazoles (see Scheme 1) were employed and condensed with acyl isothiocyanates, as outlined in Scheme 2. Amines 3, 4

• properties Mesomorphic properties of thioureas 17a–c, and 18a–c and amides 19–22 and 24 were investigated by POM and DSC. The DSC results for all compounds are summarized in Table 1. Transition temperatures, as well as the enthalpy and entropy values of each compound were acquired by differential scanning

• calorimetry (DSC). The transition temperature peak was considered for all compounds and tabulated, using the first heating curve, as well the values for ΔH and ΔS associated with each transition (see Table 1). Six liquid crystallines (LCs) thioureas were synthesized and studied and divided into two groups

Synthesis, liquid crystalline behaviour and structure–property relationships of 1,3-bis(5-substituted-1,3,4-oxadiazol-2-yl)benzenes

• Afef Mabrouki,
• Malek Fouzai,
• Armand Soldera,
• Abdelkader Kriaa and
• Ahmed Hedhli

Beilstein J. Org. Chem. 2020, 16, 149–158, doi:10.3762/bjoc.16.17

• compounds 2 and 4 is constituted by a rigid core (three aromatic rings) to which are attached the terminal chains. Based on this structure, some liquid crystalline mesophases were expected. Differential scanning calorimetry (DSC), polarized optical microscopy (POM) and X-ray diffraction pattern analysis

• were used to investigate this behaviour. DSC measurements Phase transition temperature (Tt), melting temperatures (Ti) and enthalpy changes (∆Ht) of compounds 2 and 4 are summarized in Table 2. Based on the data given in Table 2, we found that fluorinated compounds present supplementary transition

• temperatures compared with the hydrocarbonated analogues. DSC thermograms of fluorinated compounds 2b, 4a and 4b are shown in Figure 1. The thermogram of derivative 2b presents only one peak between the crystalline and the isotropic phase in cooling. However, it exhibits two peaks in heating which indicates

Thermal stability of N-heterocycle-stabilized iodanes – a systematic investigation

• Andreas Boelke,
• Yulia A. Vlasenko,
• Mekhman S. Yusubov,
• Boris J. Nachtsheim and
• Pavel S. Postnikov

Beilstein J. Org. Chem. 2019, 15, 2311–2318, doi:10.3762/bjoc.15.223

• (TGA) and differential scanning calorimetry (DSC) is investigated. Peak decomposition temperatures (Tpeak) were observed within a wide range between 120 and 270 °C. Decomposition enthalpies (ΔHdec) varied from −29.81 to 141.13 kJ/mol. A direct comparison between pseudocyclic and cyclic NHIs revealed

• the amide-stabilized derivative ABZ (azidobenziodazolone). They found a remarkable higher thermal stability of the latter compound by DSC analysis indicated by a higher onset temperature and a lower heat release during decomposition [21]. ABZ is a rare example of a nitrogen-stabilized iodane, showing

• high N/C-ratio might result in potential hazardous high energy materials, we herein investigated their thermal stability by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Results and Discussion We started our experiments with the preparation of appropriate λ3-iodanes

Water inside β-cyclodextrin cavity: amount, stability and mechanism of binding

• Stiliyana Pereva,
• Valya Nikolova,
• Silvia Angelova,
• Tony Spassov and
• Todor Dudev

Beilstein J. Org. Chem. 2019, 15, 1592–1600, doi:10.3762/bjoc.15.163

• thermodynamic characteristics of β-CD hydration compare with those of its smaller α-cyclodextrin (α-CD) counterpart? In this study, we address these questions by employing a combination of experimental (DSC/TG) and theoretical (DFT) approaches. Keywords: β-cyclodextrin; DFT calculations; DSC/TG experiments

• to differentiate between the strongly and weakly connected water molecules to the CDs [5][10][11][14]. Furthermore, TG/TGA and DSC experiments have demonstrated that the water content of β-CD is released in one-step at temperatures between 35–120 °C accompanied by a large endothermic effect [11]. The

• smaller α-CD counterpart? In this study, we endeavor to address these questions by employing a combination of experimental (DSC/TG) and theoretical approaches (DFT). Our findings illuminate the mechanism of β-CD hydration at an atomic level and disclose the major factors controlling this process. A

Selenophene-containing heterotriacenes by a C–Se coupling/cyclization reaction

• Pierre-Olivier Schwartz,
• Sebastian Förtsch,
• Astrid Vogt,
• Elena Mena-Osteritz and
• Peter Bäuerle

Beilstein J. Org. Chem. 2019, 15, 1379–1393, doi:10.3762/bjoc.15.138

• (doublet), t (triplet), m (multiplet). Coupling constants (J) relate to proton-proton couplings. GC–MS measurements were performed on a Shimadzu GCMS-QP2010 SE instrument. Melting points were measured via differential scanning calorimetric measurements (DSC) on a Mettler Toledo DSC823e under argon

• DTT (7) as a white solid (0.22 g, 0.65 mmol, 73%). Mp 94.6 °C (DSC); 1H NMR (CDCl3) δ (ppm) = 7.34 (s, 2H), 0.37 (s, 18H); 13C NMR (CDCl3) δ (ppm) 144.2, 142.5, 135.6, 127.1, 0.0; anal. calcd for C, 49.41; H, 5.88; S, 28.24; found: C, 48.65; H, 5.64; S, 29.18. The analytical data are in accordance

• stirred for 1.5 hours, filtrated, and concentrated under vacuum. The crude product was purified by column chromatography (SiO2, petroleum ether) to afford DTT 1 as a white solid (48 mg, 0.245 mmol, 91%). Mp 69.6 °C (DSC); 1H NMR (CDCl3) δ (ppm) 7.36 (d, 3J = 5.2 Hz, 2H), 7.29 (d, 3J = 5.2 Hz, 2H); 13C NMR

Fabrication, characterization and adsorption properties of cucurbit[7]uril-functionalized polycaprolactone electrospun nanofibrous membranes

• Changzhong Chen,
• Fengbo Liu,
• Xiongzhi Zhang,
• Zhiyong Zhao and
• Simin Liu

Beilstein J. Org. Chem. 2019, 15, 992–999, doi:10.3762/bjoc.15.97

• , Xiangnan University, Chenzhou 423000, China 10.3762/bjoc.15.97 Abstract The fabrication of electrospun nanofibers comprising cucurbit[7]uril (CB[7]) and poly(ε-caprolactone) (PCL) is reported. Various techniques such as SEM, FTIR, XRD, DSC and TG were utilized to characterize the morphology, composition

• continuous phases of CB[7] and PCL formed in the PCL/CB[7] nanofibers, which causes the formation of more crystal aggregates. DSC measurements can provide valuable information about the thermal transition properties, i.e., phase-transition temperatures and transition enthalpies. Figure 3 shows the first

• heating and cooling thermograms of neat PCL and electrospun PCL/CB[7] nanofibers. For comparison, the DSC curves of neat CB [7] and PCL are also provided (Figure S6 in Supporting Information File 1). Neat CB [7] has no strong and sharp peaks below 100 °C, indicating that there is no phase transition at