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The chemical structure of Estonian kukersite kerogen is evaluated using a simulation of 13C MAS NMR spectrum. A reasonable fit to the experimental NMR spectrum is obtained by assuming a model of the geomacromolecule with empirical formula C421H638O44S4NCl and a set of structural elements comprising mainly alkylated phenolic structures particularly alkyl-1,3-benzenediols and condensed alicyclic rings. From the presented model new views are coming up on the carbon skeleton of kerogen and constraints on the phenol formation pathways in the retorting process, i.e. up to 80% of methylene groups in kerogen are located in aliphatic chains and the complicated mixture of phenols in the retort oil seems to result mainly from the thermal conversion of alkyl-1,3-benzenediol units originally present in kerogen. [Copyright &y& Elsevier]

The NQR and NMR spectra of copper in polycrystalline samples of YBaCuO and GdBaCuO with different oxygen concentration x have been measured at 4.2 and 1.2 K. The different influence of Gd spins on the Cu(1) and Cu(2) sites was used to separate the contributions of both sites in the spectra. The quantitative analysis of the spectra in the region 6.3< x<6.75 allows the following conclusions about the ordering of the oxygen ions in the chains of the Cu(1) planes and about the magnetic state of the Cu(2) ions to be drawn. At about x=6.5 oxygen orders in the ortho-II structure with every second chain filled. For higher x the coexistence of ortho-II and oxygen depleted ortho-I (all chains filled to about 80 %) gives the best description of the results. The average length of the Cu−O chains, n, is about 10 oxygen atoms per chain in the region of the 60 K plateau and decreases rapidly at lower x. The superconductivity disappears when n<6. No signal of the cu(2) sites is found in samples with T below the 60 K plateau due to the slowing down of the fluctuation rate of the electron spins of the Cu(2) ions. Magnetic order appears only in samples which do not become superconducting. [ABSTRACT FROM AUTHOR]

Abstract: We report the 87Rb nuclear magnetic resonance (NMR) results in a recently synthesized . This complex novel two-dimensional (2D) cuprate is an unique magnetic material, which contains layers of coupled tetramers. In zero applied magnetic field, it orders antiferromagnetically via a second-order low-entropy phase transition at . We characterize the ordered state by 87Rb NMR, and suggest for it a non-collinear rather than collinear arrangement of spins. We discuss the properties of Rb nuclear site and point out the new structural phase transition(s) around 74 and 110K. [Copyright &y& Elsevier]

The low-temperature crystal structure of BaCuSi206 has been investigated with high-resolution synchrotron x-ray and neutron powder diffraction techniques and has been found to be on average (ignoring the incommensurate modulation) orthorhombic, with the most probable space group Ibam. The Cu-Cu dimers in this material are forming two types of layers with distinctly different interatomic distances. Subtle changes also modify the partially frustrated interlayer Cu-Cu exchange paths. The present results corroborate the interpretation of low-temperature nuclear magnetic resonance and inelastic neutron scattering data in terms of distinct dimer layers. [ABSTRACT FROM AUTHOR]

Abstract: U-type hexaferrites with compositions Ba4Me2Fe36O60 (Me=Cu, Fe, Co, Mn and Mg) have been synthesized and characterized by magnetization measurements and zero field 57Fe nuclear magnetic resonance (NMR) spectra. The NMR spectra show resonance peaks corresponding to different crystallographic sites of iron (tetrahedral, octahedral and trigonal bipyramidal) with integral intensities according to their site multiplicity. In comparison with the NMR spectrum of M-type barium hexaferrite the intensities of some of the peaks arising due to iron sublattices (f IV, a and b sites) are different, though there is no difference in peak positions indicating the same local hyperfine field strength at Fe nuclei. The maximum saturation magnetization at room temperature was found in Cu2U (70emu/g) and Fe2U (67emu/g). The Curie temperatures, saturation magnetizations and coercitivities for the U-type hexaferrites are given. [Copyright &y& Elsevier]

We investigated the magnetic and structural properties of the quasi-one-dimensional 3d1 quantum chain system TiPO4 (J ∼ 965 K) by magnetic susceptibility, heat capacity, electron spin resonance, x-ray diffraction, and nuclear magnetic resonance (NMR) measurements, and by density functional theory (DFT) calculations. TiPO4 undergoes two magnetostructural phase transitions, one at 111 K and the other at 74 K. Below 74 K, NMR detects two different 31P signals and the magnetic susceptibility vanishes, while DFT calculations evidence a bond alternation of the Ti-Ti distances within each chain. Thus, the 74 K phase transition is a spin-Peierls transition which evolves from an incommensurate phase existing between 111 and 74 K. [ABSTRACT FROM AUTHOR]

Abstract: The results of investigations of the point defect generation, redistribution and interaction with impurities in the Si–SiO2 system during the process of its formation by means of electron paramagnetic resonance (EPR) and nucleus magnetic resonance (NMR) techniques are presented. The type and density of the point defects that are generated in the Si surface layer during thermal oxidation depend on the oxidation condition: temperature, cooling rate, oxidation time, and impurity content. The interaction between the point defects with extended defects and impurities affects the properties of the Si–SiO2 interface. The influence of the point defects may be diminished and the interface properties improved by an appropriate choice of the oxidation conditions. The difference between the interface properties of n- and p-type wafers may be connected with the different position of the Fermi level at the interface and different point defects density in the volume near the interface. [Copyright &y& Elsevier]

We have studied carbon-doped magnesium diboride nanoparticles using 13C and 11B NMR in the normal and superconducting states. Measurements of the line shape reveal the role of carbon as a flux-pinning center and, combined with Knight shift measurements, suggest the doping procedure favors the chemical substitution scenario. We perform ab initio calculations on a structure with a single carbon-boron substitution which yield results that match the experimental data. The 13C and 11B Knight shift data are used to extract the spin susceptibility, which indicates a BCS pairing mechanism; however, we do not observe the Hebel-Slichter coherence peak from 1/T1 data, which we hypothesize is due to a pair-breaking mechanism present in the boron planes. [ABSTRACT FROM AUTHOR]

Isotropic and anisotropic magnetic behavior of the frustrated spin-chain compound β-TeVO4 is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetization, heat capacity, and magnetostriction measurements. Qualitatively different temperature-field diagrams are obtained below 10 T for the field applied along a or b and along c, respectively. In contrast, a nearly isotropic high-field phase emerges above 18 T and persists up to the saturation that occurs around 22.5 T. Upon cooling in low fields, the transitions at TN1 and TN2 toward the spin-density-wave and stripe phases are of the second order, whereas the transition at TN3 toward the helical state is of the first order and entails a lattice component. Our microscopic analysis identifies frustrated J1-J2 spin chains with a sizable antiferromagnetic interchain coupling in the bc plane and ferromagnetic couplings along the a direction. The competition between these ferromagnetic interchain couplings and the helical order within the chain underlies the incommensurate order along the a direction, as observed experimentally. While a helical state is triggered by the competition between J1 and J2 within the chain, the plane of the helix is not uniquely defined because of competing magnetic anisotropies. Using high-resolution synchrotron diffraction and 125Te nuclear magnetic resonance, we also demonstrate that the crystal structure of β-TeVO4 does not change down to 10 K, and the orbital state of V4+ is preserved. [ABSTRACT FROM AUTHOR]

We investigated the melt-spinning potential of a poly(3-hydroxybutyrate)/poly(3-hydroxybutyrate- co -4-hydroxybutyrate) blend using a piston spinning machine with two different spinneret diameters (0.2 and 0.5 mm). Results from the differential scanning calorimetry, dynamic mechanical thermal analysis, and tensile testing showed distinct filament properties depending on the monofilaments' cross-sectional area. Finer filaments possessed different melting behaviors compared to the coarser filaments and the neat polymer, indicating the formation of a different type of polymer crystal. Additionally, the mechanical properties of the finer filament (tensile strength: 21.5 MPa and elongation at break: 341%) differed markedly from the coarser filament (tensile strength: 11.7 MPa, elongation at break: 12.3%). The hydrolytic stability of the filaments was evaluated for 7 weeks in a phosphate-buffered saline solution and showed a considerably reduced elongation at break of the thinner filaments. Overall, the results indicate considerable potential for further filament improvements to facilitate textile processing., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)

Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) is a biobased and biodegradable polymer. This polymer is considered promising, but it is also rather expensive. The objective of this study was to compound PHBV with three different organic fillers considered waste: human hair waste (HHW), sawdust (SD) and chitin from shrimp shells. Thus, the cost of the biopolymer is reduced, and, at the same time, waste materials are valorised into something useful. The composites prepared were characterised by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), tensile strength and scanning electron micrograph (SEM). Tests showed that chitin and HHW did not have a reinforcing effect on tensile strength while the SD increased the tensile strength at break to a certain degree. The biodegradation of the different composites was evaluated by a soil burial test for five months. The gravimetric test showed that neat PHBV was moderately degraded (about 5% weight loss) while reinforcing the polymer with organic waste clearly improved the biodegradation. The strongest biodegradation was achieved when the biopolymer was compounded with HHW (35% weight loss). The strong biodegradation of HHW was further demonstrated by characterisation by Fourier-transform infrared spectroscopy (FTIR) and solid-state nuclear magnetic resonance (NMR). Characterisation by SEM showed that the surfaces of the biodegraded samples were eroded.

As the primary solid phase, amorphous calcium phosphate (ACP) is a pivotal precursor in cellular biomineralization. The intrinsic interplay between ACP and Howard factor underscores the significance of understanding their association for advancing biomimetic ACP development. While organic compounds play established roles in biomineralization, this study presents the synthesis of ACP with naturally occurring organic compounds (ascorbate, glutamate, and itaconate) ubiquitously found in mitochondria and vital for bone remodeling and healing. The developed ACP with organic compounds was meticulously characterized using XRD, FTIR, and solid-state 13 C and 31 P NMR. The morphological analysis revealed the characteristic spherical morphology with particle size close to 20 nm of all synthesized ACP variants. Notably, the type of organic compound strongly influences true density, specific surface area, particle size, and transformation. The in vitro analysis was performed with MC3T3-E1 cells, indicating the highest cell viability with ACP&#95;ASC (ascorbate), followed by ACP&#95;ITA (itaconate). The lowest cell viability was observed with 10 %w/v of ACP&#95;GLU (glutamate); however, 1 %w/v of ACP&#95;GLU was cytocompatible. Further, the effect of small organic molecules on the transformation of ACP to low crystalline apatite (Ap) was examined in Milli-Q ® water, PBS, and α-MEM., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Indurkar, Kudale, Rjabovs, Heinmaa, Demir, Kirejevs, Rubenis, Chaturbhuj, Turks and Locs.)

Volatile fatty acids (VFAs) appear to be an economical carbon feedstock for the cost-effective production of polyhydroxyalkanoates (PHAs). The use of VFAs, however, could impose a drawback of substrate inhibition at high concentrations, resulting in low microbial PHA productivity in batch cultivations. In this regard, retaining high cell density using immersed membrane bioreactor (iMBR) in a (semi-) continuous process could enhance production yields. In this study, an iMBR with a flat-sheet membrane was applied for semi-continuous cultivation and recovery of Cupriavidus necator in a bench-scale bioreactor using VFAs as the sole carbon source. The cultivation was prolonged up to 128 h under an interval feed of 5 g/L VFAs at a dilution rate of 0.15 (d -1 ), yielding a maximum biomass and PHA production of 6.6 and 2.8 g/L, respectively. Potato liquor and apple pomace-based VFAs with a total concentration of 8.8 g/L were also successfully used in the iMBR, rendering the highest PHA content of 1.3 g/L after 128 h of cultivation. The PHAs obtained from both synthetic and real VFA effluents were affirmed to be poly(3-hydroxybutyrate-co-3-hydroxyvalerate) with a crystallinity degree of 23.8 and 9.6%, respectively. The application of iMBR could open an opportunity for semi-continuous production of PHA, increasing the feasibility of upscaling PHA production using waste-based VFAs.

Electrons in solids often adopt complex patterns of chemical bonding driven by the competition between energy gains from covalency and delocalization, and energy costs of double occupation to satisfy Pauli exclusion, with multiple intermediate states in the transition between highly localized, and magnetic, and delocalized, and nonmagnetic limits. Herein, we report a chemical pressure-driven transition from a proper Mn magnetic ordering phase transition to a Mn magnetic phase crossover in EuMn 2 P 2 the limiting end member of the EuMn 2 X 2 (X = Sb, As, P) family of layered materials. This loss of a magnetic ordering occurs despite EuMn 2 P 2 remaining an insulator at all temperatures, and with a phase transition to long-range Eu antiferromagnetic order at T N ≈ 17 K. The absence of a Mn magnetic phase transition contrasts with the formation of long-range Mn order at T ≈ 130 K in isoelectronic EuMn 2 Sb 2 and EuMn 2 As 2 . Temperature-dependent specific heat and 31 P NMR measurements provide evidence for the development of short-range Mn magnetic correlations from T ≈ 250-100 K, interpreted as a precursor to covalent bond formation. Density functional theory calculations demonstrate an unusual sensitivity of the band structure to the details of the imposed Mn and Eu magnetic order, with an antiferromagnetic Mn arrangement required to recapitulate an insulating state. Our results imply a picture in which long-range Mn magnetic order is suppressed by chemical pressure, but that antiferromagnetic correlations persist, narrowing bands and producing an insulating state.

Here, cell wall of a zygomycete fungus, Rhizopus delemar, grown on bread waste was wet spun into monofilaments. Using the whole cell wall material omits the common chitosan isolation and purification steps and leads to higher material utilization. The fungal cell wall contained 36.9% and 19.7% chitosan and chitin, respectively. Solid state NMR of the fungal cell wall material confirmed the presence of chitosan, chitin, and other carbohydrates. Hydrogels were prepared by ultrafine grinding of the cell wall, followed by addition of lactic acid to protonate the amino groups of chitosan, and subsequently wet spun into monofilaments. The monofilament inhibited the growth of Bacillus megaterium (Gram+ bacterium) and Escherichia coli (Gram- bacterium) significantly (92.2% and 99.7% respectively). Cytotoxicity was evaluated using an in vitro assay with human dermal fibroblasts, indicating no toxic inducement from exposure of the monofilaments. The antimicrobial and biocompatible fungal monofilaments, open new avenues for sustainable biomedical textiles from abundant food waste., (Copyright © 2022 The Authors. Published by Elsevier B.V. All rights reserved.)

Solid-phase extraction that utilizes selective macrocyclic receptors can serve as a useful tool for removal of chemical wastes. Hemicucurbiturils are known to form inclusion complexes with suitably sized anions; however, their use in selective binding of non-charged species is still very limited. In this study, we found that cyclohexanohemicucurbit[8]uril encapsulates five- and six-membered sulfur- and oxygen-containing unsubstituted heterocycles, which is investigated by single-crystal X-ray diffraction, NMR spectroscopy, isothermal titration calorimetry, and thermogravimetry. The macrocycle acts as a promising selective sorption material for the extraction of sulfur heterocycles, such as 1,3-dithiolane and α -lipoic acid, from water., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2021 Shalima, Mishra, Kaabel, Ustrnul, Bartkova, Tõnsuaadu, Heinmaa and Aav.)

Nuclear magnetic resonance (NMR) spectroscopy of paramagnetic molecules provides detailed information about their molecular and electron-spin structure. The paramagnetic NMR spectrum is a very rich source of information about the hyperfine interaction between the atomic nuclei and the unpaired electron density. The Fermi-contact contribution to ligand hyperfine NMR shifts is particularly informative about the nature of the metal-ligand bonding and the structural arrangements of the ligands coordinated to the metal center. In this account, we provide a detailed experimental and theoretical NMR study of compounds of Cr(III) and Cu(II) coordinated with substituted acetylacetonate (acac) ligands in the solid state. For the first time, we report the experimental observation of extremely paramagnetically deshielded 13 C NMR resonances for these compounds in the range of 900-1200 ppm. We demonstrate an excellent agreement between the experimental NMR shifts and those calculated using relativistic density-functional theory. Crystal packing is shown to significantly influence the NMR shifts in the solid state, as demonstrated by theoretical calculations of various supramolecular clusters. The resonances are assigned to individual atoms in octahedral Cr(acac) 3 and square-planar Cu(acac) 2 compounds and interpreted by different electron configurations and magnetizations at the central metal atoms resulting in different spin delocalizations and polarizations of the ligand atoms. Further, effects of substituents on the 13 C NMR resonance of the ipso carbon atom reaching almost 700 ppm for Cr(acac) 3 compounds are interpreted based on the analysis of Fermi-contact hyperfine contributions.

In the production of biopolymers, the processing operations (e.g. extraction and drying) involve some degradation of the polysaccharide-causing structural and functional changes in final products. In this study, short-term heat treatment (75-115 °C, 15 min) influence on commercial carrageenans' - furcellaran, κ-carrageenan, ι-carrageenan and a κ/λ-carrageenan - structure, molecular weight and gel rheology was studied. Compared with other carrageenans, commercial furcellaran that had undergone multiple heatings at high temperatures during production was found to be susceptible to polymer degradation. Heat caused the desulphation and degradation of furcellaran galactans and the molecular weight was significantly decreased, causing a drop in viscosity and gel hardness. The loss of the network cross-linking of furcellaran gels was confirmed by scanning electron microscopy. Carrageenan gel storage modulus values decreased with the increase in the temperature of the treatment. The greatest decrease in storage modulus values occurred with κ/λ-carrageenan gels, followed by ι-carrageenan > furcellaran > κ-carrageenan., Competing Interests: The authors declare no conflict of interest., (© 2021 The Authors.)

Nuclear shielding and chemical shift are considered independent of the magnetic-field strength. Ramsey proposed on theoretical grounds in 1970 that this may not be valid for heavy nuclei. Here we present experimental evidence for the direct field dependence of shielding, using 59Co shielding in Co(acac)3 [tris(acetylacetonate)cobalt(iii)] as an example. We carry out NMR experiments in four field strengths for this low-spin diamagnetic Co(iii) complex, which features a very large and negative nuclear shielding constant of the central Co nucleus. This is due to a magnetically accessible, low-energy eg ← t2g orbital excitation of the d6 system. The experiments result in temperature-dependent magnetic-field dependence of -5.7 to -5.2 ppb T-2 of the 59Co shielding constant, arising from the direct modification of the electron cloud of the complex by the field. First-principles multiconfigurational non-linear response theory calculations verify the sign and order of magnitude of the experimental results.

Polypyrrole (PPy) based electroactive materials are important building blocks for the development of flexible electronics, bio-sensors and actuator devices. As the properties and behavior of PPy depends strongly on the operating environment-electrolyte, solvent, etc., it is desirable to plant immobile ionic species into PPy films to ensure stable response. A premade ionic polymer is not optimal in many cases, as it enforces its own structure on the conducting polymer, therefore, polymerization during fabrication is preferred. Pyrrole (Py) was electropolymerized at low temperature together with a polymerizable ionic liquid (PIL) monomer in a one-step polymerization, to form a stable film on the working electrode. The structure and morphology of the PPyPIL films were investigated by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Fourier-transform infrared (FTIR) spectroscopy and solid-state NMR (ssNMR) spectroscopy. The spectroscopy results confirmed the successful polymerization of Py to PPy and PIL monomer to PIL. The presence of (TFSI - ) anions that balance the charge in PPyPIL was confirmed by EDX analysis. The electrical properties of PPyPIL in lithium bis(trifluoromethanesulfonyl)-imide (LiTFSI) aqueous and propylene carbonate solutions were examined with cyclic voltammetry (CV), chronoamperometry, and chronopotentiometry. The blend of PPyPIL had mixed electronic/ionic conductive properties that were strongly influenced by the solvent. In aqueous electrolyte, the electrical conductivity was 30 times lower and the diffusion coefficient 1.5 times higher than in the organic electrolyte. Importantly, the capacity, current density, and charge density were found to stay consistent, independent of the choice of solvent.

Power generation and other industries using solid fossil fuels like coal, lignite, oil shale and peat are responsible for producing large quantities of solid residues that are often chemically reactive and/or unstable and are disposed in holding ponds and deposition sites. Stability and long-term behaviour of such deposits are typically studied in short-term laboratory experiments that cannot describe nor predict long-term changes taking place in these materials. Here, we study long-term (>40 years) transformations, in highly alkaline conditions, of the Ca-rich ash deposit in Estonia composed of oil shale processing residues from the Eesti power plant. Detailed mineralogical, chemical and micromorphological analyses using X-ray diffraction, X-ray fluorescence, 29 Si nuclear magnetic resonance, scanning electron microscopy and other methods were applied in order to identify the composition of the waste with a focus on formation and transformation of semicrystalline phases in the deposit. The results show progressive formation of calcium-silicate-hydrate (C-S-H) type phase at the expense of silicate minerals and amorphous glass phases with increasing depth and age of the sediments, from about 25% in the upper part of the depository to over 60% in the oldest-deepest part. This demonstrates that over time the high alkalinity of the ash is responsible for initiating natural alkali-activation. The formation of C-S-H-type phases increases the mechanical strength of the sediment and ensures long-term stability of waste deposits. These findings may encourage the use of these ashes in binder or other construction material production or as construction aggregates., (Copyright © 2018 Elsevier B.V. All rights reserved.)

Measurements of the zeta potential of solid heterogeneous supports are important for preparation of metal supported catalysts and for shaping zeolites into extrudates. In the current work, different types of heterogeneous support materials such as SiO₂, Al₂O₃, and a range of beta zeolites of different silica- to-alumina ratio were analysed. It was observed that parameters such as temperature, pH and acidity significantly affect the zeta potential. In several instances, depending on the materials’ acidity and microstructure, maxima in zeta potential were observed. The solid materials were thoroughly characterized using XRD, SEM, EDX, TEM, nitrogen physisorption, Al-NMR and FTIR with pyridine before zeta potential measurements.

Fatty acid cellulose esters (FACEs), which have been identified recently as sustainable film materials, are conventionally synthesized by the use of the reaction with acyl chloride/anhydride pyridine in the presence of LiCl/N,N-dimethylacetamide. In this study, we have developed a new synthetic route to FACEs using a vinyl ester of long chain fatty acid, which is an excellent biobased and highly reactive reagent, for the functionalization of cellulose. The developed method involves the synthesis of the long aliphatic fatty acid vinyl ester via a transition-metal-catalyzed transvinylation reaction between vinyl acetate and the fatty acid, followed by its subsequent reaction with cellulose to yield FACEs. In this work, we have used vinyl oleate as a model precursor to introduce the fatty acid chain to cellulose. The covalent grafting of the fatty acid chain to the free hydroxyl groups of cellulose was achieved through potassium carbonate (K 2 CO 3 )-catalyzed transesterification of vinyl oleate in the presence of N-methyl pyrrolidone as solvent with low toxicity. Successful functionalization of cellulose was confirmed by FTIR, 13 C CP-MAS NMR, X-ray diffraction, and the thermogravimetric analysis. The results obtained showed that the functionalization efficiency of the cellulose increased with higher temperature and prolonged reaction times. The strategy proposed in the present work is an important step onward in terms of sustainability because the long-chain vinyl ester can be synthesized from a renewable and biobased source, and the toxic and corrosive chemicals commonly employed for cellulose esterification are avoided.

Overtone (14)N NMR spectroscopy is a promising route for the direct detection of (14)N signals with good spectral resolution. Its application is currently limited, however, by the absence of efficient polarization techniques for overtone signal enhancement and the lack of efficient numerical simulation techniques to aid in both the development of new methods and the analysis and interpretation of experimental data. In this paper we report a novel method for the transfer of polarization from (1)H to the (14)N overtone using symmetry-based R-sequences that overcome many of the limitations of adiabatic approaches that have worked successfully on static samples. Refinement of these sequences and the analysis of the resulting spectra have been facilitated through the development of an efficient simulation strategy for (14)N overtone NMR spectroscopy of spinning samples, using effective Hamiltonians on top of Floquet and Fokker-Planck equations.

We present a solid-state NMR study of H2 molecules confined inside the cavity of C70 fullerene cages over a wide range of temperatures (300 K to 4 K). The proton NMR spectra are consistent with a model in which the dipole-dipole coupling between the ortho-H2 protons is averaged over the rotational/translational states of the confined quantum rotor, with an additional chemical shift anisotropy δ(H)(CSA)=10.1 ppm induced by the carbon cage. The magnitude of the chemical shift anisotropy is consistent with DFT estimates of the chemical shielding tensor field within the cage. The experimental NMR data indicate that the ground state of endohedral ortho-H2 in C70 is doubly degenerate and polarized transverse to the principal axis of the cage. The NMR spectra indicate significant magnetic alignment of the C70 long axes along the magnetic field, at temperatures below ~10 K., (© 2013 The Authors. Published by Wiley-VCH Verlag GmbH&Co. KGaA. This is an open-access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.)