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Lithium-O2 batteries represent one of the most appealing candidates for battery electric vehicles (BEV) due to its remarkable theoretical high energy density, similar to fossil fuels. Solid polymer electrolytes represent a plausible solution to tackle some of the challenges associated to conventional liquid-based Li-O2 batteries, including safety concerns. Herein, cross-linked robust gel polymer electrolytes (GPE) based on poly(ethylene glycol) dimethacrylate (PEGDM) and tetraethylene glycol dimethyl ether (TEGDME) as plasticizer are prepared by rapid UV-photopolymerization. Both types of robust GPEs presented high ionic conductivity at room temperature (1.6·10−4 S·cm−1 and 1.4·10−3 S·cm−1 for single ion or dual ion, respectively). Both types of GPEs, single ion and dual ion lithium conductors, have been compared for the first time on Li-O2 cells. First, their performance was investigated in symmetrical Li|Li cells. In this case, the dual-ion GPE showed an outstanding behavior where the overpotential was

Single-ion conducting polymer electrolytes (SICPEs) have many advantages for solid-state battery applications, while low conductivities remain the bottleneck for their practical applications. Herei...

We report a novel charge inversion ion/ion reaction that converts multiply charged protein cations to multiply charged protein anions via a single ion/ion collision using highly charged anions derived from nano-electrospray ionization (nESI) of hyaluronic acids (HAs). This type of charge inversion reaction is demonstrated with cations derived from cytochrome c, apo-myoglobin, and carbonic anhydrase (CA) cations. For example, the reaction has been demonstrated to convert the [CA+22H](22+) carbonic anhydrase cation to a distribution of anions as high in absolute charge as [CA−19H](19−). Ion/ion reactions involving multiply-charged ions of opposite polarity have previously been observed to result predominantly in the attachment of the reactant ions. All mechanisms for ion/ion charge inversion involving low energy ions proceed via the formation of a long-lived complex. Factors that underlie the charge inversion of protein cations to high anionic charge states in reaction with HA anions are hypothesized to include: i) the relatively high charge densities of the HA anions that facilitate the extraction of multiple protons from the protein leading to multiply-charged protein anions, ii) the relatively high sum of absolute charges of the reactants that leads to high initial energies in the ion/ion complex, and iii) the relatively high charge of the ion/ion complex following the multiple proton transfers that tends to destabilize the complex.

Fabrication of stretchable functional polymeric materials usually relies on the physical adhesion between functional components and elastic polymers, while the interfacial resistance is a potential...

Single-ion conducting polymers such as ionomers are promising battery electrolyte materials, but it is critical to understand how rates and mechanisms of free cation transport depend on the nanoscale aggregation of cations and polymer-bound anions. We perform coarse-grained molecular dynamics simulations of ionomer melts to understand cation mobility as a function of polymer architecture, background relative permittivity, and corresponding ionic aggregate morphology. In systems exhibiting percolated ionic aggregates, cations diffuse via stepping motions along the ionic aggregates. These diffusivities can be quantitatively predicted by calculating the lifetimes of continuous association between oppositely charged ions, which equal the time scales of the stepping (diffusive) motions. In contrast, predicting cation diffusivity for systems with isolated ionic aggregates requires another time scale. Our results suggest that to improve conductivity the Coulombic interaction strength should be strong enough to favor percolated aggregates but weak enough to facilitate ion dissociation.

Background Urushiol, the culprit allergen in Toxicodendron plants such as poison ivy, is an oily mixture of 15 and 17 carbon side chain alk-(en)-yl catechols. Recently, consumer products have been identified that contain Toxicodendron as an ingredient on their label; however, no studies have assessed whether urushiol is indeed present within these products. Objective The aim of the study was to determine whether urushiol compounds are present in consumer products labeled as containing Toxicodendron species. Methods Gas chromatography-mass spectrometry and liquid chromatography-tandem mass spectrometry were performed on 9 consumer products labeled as containing Toxicodendron species, including topical homeopathic remedies. Single ion monitoring gas chromatography-mass spectrometry was programmed in selective ion mode to detect 3-methylcatechol characteristic fragment ions of alk-(en)-yl catechols after silanization. Similarly, single ion monitoring liquid chromatography-tandem mass spectrometry was programmed to detect 4 urushiol pentadecylcatechols and 5 urushiol heptadecylcatechols using previously reported mass-to-charge ratios. Results Gas chromatography-mass spectrometry detected alk-(en)-yl catechols in 67% (6/9) of the products tested. Liquid chromatography-tandem mass spectrometry detected multiple urushiol pentadecylcatechols and heptadecylcatechols in 44% (4/9) of the products tested. Conclusions Alk-(en)-yl catechols and multiple urushiols were detected in consumer products listing Toxicodendron species as an ingredient. Clinicians should be aware of these known allergenic ingredients in consumer products.

Computational statistical disciplines, such as machine learning, are leading to a paradigm shift in the way we conceive the design of new compounds, offering a way to directly design the best compo...

We generate a new air-stable pseudo-D5h Dy(III) Single-Molecule Magnet (Ueff = 1108 K, TB = 14 K) by combining a weak equatorial ligand field from a macrocyclic LN5 ligand with a strong axial ligand field. Based on our synthetic blueprint, we use ab initio calculations to show the vast scope for macrocyclic engineering of magnetic anisotropy.

A new air-stable sulfur-ligated Dy(iii) single-ion magnet has been successfully isolated with Ueff = 638 K and hysteresis loops open up to 7 K. In silico studies show that the S co-ligands significantly boost the axiality and that Te- and Se-donors have the potential to further enhance the magnetic properties.

We study an interplay between the orbital degeneracy and spin-orbit coupling giving rise to spin-orbital entangled states. As a specific example, we analyze the interaction of electrons occupying triply degenerate single-ion $t_{2g}$ levels with trigonal vibronic modes (the $t\otimes T$ problem). A more general problem of the electron-lattice interaction involving both tetragonal and trigonal vibrations is also considered. It is shown that the result of such interaction crucially depends on the occupation of $t_{2g}$ levels leading to either the suppression or enhancement of the Jahn-Teller effect by the spin-orbit coupling., Comment: 11 pages, 10 figures

We are living in a era of alarming increases in microbial resistance to currently available antibiotics, and there is a growing need for new pharmaceutical products to treat infectious diseases. The pomegranate is an edible fruit that has virucidal and antimicrobial activities which is primarily attributable to the high concentration of hydrolysable tannins. Punicalagin, a high molecular weight tannin (1084.7), accounts for approximately 70% of the total and is concentrated in the fruit exocarp (rind). It is the focus of much research, although it is prohibitively expensive to purchase which presents an obstacle to further exploitation and development. Here we describe a method for the isolation of punicalagin from pomegranate rind extract and total pomegranate tannins using an Agilent preparative mass-directed LC–MS single quadrupole ESI-API system, where the ionization was set as negative and the mass signal acquired in Single Ion Monitoring. Thanks to the automatic fraction collector, the method can be used in automatic mode and is capable of producing punicalagin with >95% purity.

The quantum phase transitions for one-dimensional spin-1 XXZ model with uniaxial single-ion-type anisotropy are investigated by numerical simulation. The Gaussion transition occurred between the Larged-D phase and Neel phase, which is a gapped phase. The results of ground state energy, local order parameter and entanglement entropy agree with each other. The figures for all of the physical observable are shown in the text.

Among so-called "next generation" battery technologies, lithium metal batteries (LMBs) enabled by solid-state electrolytes are considered key to achieve rechargeable batteries with higher energy density and safety than current lithium ion batteries (LIBs). This article briefly evaluates various aspects of polymer electrolytes from history, macromolecular architecture, material classification, and electrode optimization, with special emphasis on solid polymer electrolytes (SPEs) and single ion conducting polymeric electrolytes. Representative interfaces and interphases as well as corresponding engineering strategies adopted for the anticipated goals are briefly summarized, including various approaches adopted to mitigate the shortcomings at the interfaces. Significant weight should be given for research and development of SPEs, as they could be an enabler for solid-state LMBs with attractive performance and made by comparatively easy electrode and cell processing techniques.

SummaryTRAAK is a mechanosensitive two-pore domain K+ (K2P) channel localized to nodes of Ranvier in myelinated neurons. TRAAK deletion in mice results in mechanical and thermal allodynia and gain-of-function mutations cause the human neurodevelopmental disorder FHEIG. TRAAK displays basal and stimulus-gated activities typical of K2Ps, but the mechanistic and structural differences between these modes are unknown. Here, we demonstrate that basal and mechanically-gated openings are distinguished by their conductance, kinetics, and structure. Basal openings are low conductance, short duration, and occur through a channel with an interior cavity exposed to the surrounding membrane. Mechanically-gated openings are high conductance, long duration, and occur through a channel that is sealed to the surrounding membrane. Our results explain how dual modes of activity are produced by a single ion channel and provide a basis for the development of state-selective pharmacology with the potential to treat disease.

Parity-time ($\mathcal{PT}$)-symmetric systems, featuring real eigenvalues despite their non-Hermitian nature, undergo spontaneous $\mathcal{PT}$ symmetry breaking at the exceptional point (EP). The phase transition from $\mathcal{PT}$ symmetry to $\mathcal{PT}$ symmetry breaking has shown exotic functionalities in the classical realm, such as loss-induced transparency or lasing revival. This transition is also expected to produce a more unconventional effect in pure quantum $\mathcal{PT}$ devices. Here, we report experimental evidences of spontaneous $\mathcal{PT}$ symmetry breaking in a single cold $^{40}\mathrm{Ca}^{+}$ ion and, more importantly, a counterintuitive effect of perfect quantum coherence occurring at the EP. Excellent agreement between experimental results and theoretical predictions is identified. In view of the versatile role of cold ions in building a quantum memory or processor, our experiment provides an alternative platform to explore $\mathcal{PT}$-symmetric physics and utilize pure quantum EP effects.

Nitrogen Vacancy (NV) centers in diamond are a platform for several important quantum technologies, including sensing, communication and elementary quantum processors. In this letter we demonstrate the creation of NV centers by implantation using a deterministic single ion source. For this we sympathetically laser-cool single $^{15}\textrm{N}_2^+$ molecular ions in a Paul trap and extract them at an energy of 5.9\,keV. Subsequently the ions are focused with a lateral resolution of 121(35)\,nm and are implanted into a diamond substrate without any spatial filtering by apertures or masks. After high-temperature annealing, we detect the NV centers in a confocal microscope and determine a conversion efficiency of about 0.6\,$\%$. The $^{15}\textrm{NV}$ centers are characterized by optically detected magnetic resonance (ODMR) on the hyperfine transition and coherence time., 13 pages, 7 figures

Compound-specific stable chlorine isotope analysis (CSIA-Cl) is an important method for identifying sources of organochlorine contaminants and helping assess their quantification of transformation processes. However, the present CSIA-Cl is challenged by either redundant conversion pretreatment or complicated mathematical correction. To overcome the mentioned problems, a novel method has been developed for the CSIA-Cl of eight organochlorine pesticides using gas chromatography-negative chemical ionization mass spectrometry (GC-NCI-qMS) in this study. The instrument parameters, acquisition mode, and required injection amounts were optimized in terms of the precision of GC-NCI-qMS. An ionization energy of 90 eV and emission current of 90 μA were selected, and the precisions for eight organochlorine pesticides were in the range of 0.37‰–2.15‰ in single ion monitoring (SIM) mode when the injected amount was 0.50 mg L−1 (viz. 0.5 ng on column). Furthermore, when standards from Supelco and O2si were calibrated using standards from AccuStandard regarded as external isotope standard, chlorine isotope composition of α-hexachlorocyclohexane (α-HCH) and 2, 2-dichloro−1, 1-bis (4-chlorophenyl) ethylene (p, p′-DDE) in Supelco and O2si was confidently differentiated. The provenance identification method was validated by three organochlorine contaminated groundwater samples and showed a prospect in identifying the source of organochlorine pesticides.

Three mononuclear Co(II) complexes with the formulas of [Co(L1)2] (1), [Co(L2)2(CH3OH)2] (2), and [Co(L3)2(CH3OH)2] (3) (HL1 = 4-nitro-2-((E)- (propylimino)methyl)phenol, HL2 = 2,4-dinitro-6-((E)-(...

The reaction of (NBu4)2Bzmal (where Bzmal2&minus, is benzylmalonate dianion) with Co(OAc)2∙4H2O gives the [Co(Bzmal)(EtOH)(H2O)]n 2D-polymer (1). The addition of 2,2&prime, bipyridine (bpy) to the starting system results in the [Co(Bzmal)(bpy)2]&middot, H2O&middot, EtOH molecular complex (2). Their molecular and crystal structures were analyzed by single-crystal X-ray crystallography. An analysis of the static magnetic data supported by the SA-CASSCF/NEVPT2 calculations revealed the presence of easy-plane magnetic anisotropy in both complexes. The AC susceptibility data confirm that both complexes show a slow field-induced (HDC = 1000 Oe) magnetic relaxation behavior.

Luminescence (nano)thermometry is an increasingly important field for remote temperature sensing with high spatial resolution. Most typically, ratiometric sensing of the luminescence emission intensities of two thermally coupled emissive states based on a Boltzmann equilibrium is used to detect the local temperature. Dependent on the temperature range and preferred spectral window, various choices for potential candidates appear possible. Despite extensive experimental research in the field, a universal theory covering the basics of luminescence thermometry is virtually nonexistent. In this manuscript, a general theoretical framework of single ion luminescent thermometers is presented that offers simple, user-friendly guidelines for both the choice of an appropriate emitter and respective embedding host material for optimum temperature sensing. The results show that the optimum performance (thermal response and sensitivity) around T0 is realized for an energy gap ∆E21 between thermally coupled levels between 2kBT0 and 3.41kBT0. Analysis of the temperature-dependent excited state kinetics shows that host lattices in which ∆E21 can be bridged by one or two phonons are preferred over hosts in which higher order phonon processes are required. Such a framework is relevant for both a fundamental understanding of luminescent thermometers but also the targeted design of novel and superior luminescent (nano)thermometers.

Recent studies have demonstrated the potential of nanoparticle-based single-ion conductors as battery electrolytes. In this work, we introduce a coarse-grained multiscale simulation approach to identify the mechanisms underlying the ion mobilities in such systems and to clarify the influence of key design parameters on conductivity. Our results suggest that for the experimentally studied electrolyte systems, the dominant pathway for cation transport is along the surface of nanoparticles, in the vicinity of nanoparticle-tethered anions. At low nanoparticle concentrations, connectivity of cationic surface transport pathways and conductivity increase with nanoparticle loading. However, cation mobilities are reduced when nanoparticles are in close vicinity, causing conductivity to decrease for suffciently high particle loadings. We discuss the impacts of cation and anion choice as well as solvent polarity within this picture and suggest means to enhance ionic conductivities in single-ion conducting electrolytes based on nanoparticle salts.

Background Oncolytic viruses are playing an increasingly important role in cancer immunotherapy applications. Given the preclinical and clinical efficacy of these virus-based therapeutics, there is a need for fast, simple, and inexpensive downstream processing methodologies to purify biologically active viral agents that meet the increasingly higher safety standards stipulated by regulatory authorities like the Food and Drug Administration and the European Agency for the Evaluation of Medicinal Products. However, the production of virus materials for clinical dosing of oncolytic virotherapies is currently limited—in quantity, quality, and timeliness—by current purification technologies. Adsorption of virus particles to solid phases provides a convenient and practical choice for large-scale fractionation and recovery of viruses from cell and media contaminants. Indeed, chromatography has been deemed the most promising technology for large-scale purification of viruses for biomedical applications. The implementation of new chromatography media has improved process performance, but low yields and long processing times required to reach the desired purity are still limiting. Results Here we report the development of an interference chromatography-based process for purifying high titer, clinical grade oncolytic Newcastle disease virus using NatriFlo® HD-Q membrane technology. This novel approach to optimizing chromatographic performance utilizes differences in molecular bonding interactions to achieve high purity in a single ion exchange step. Conclusions When used in conjunction with membrane chromatography, this high yield method based on interference chromatography has the potential to deliver efficient, scalable processes to enable viable production of oncolytic virotherapies.

The proteins MCU and EMRE form the minimal functional unit of the mitochondrial calcium uniporter complex in metazoans, a highly selective and tightly controlled Ca2+ channel of the inner mitochondrial membrane that regulates cellular metabolism. Here we present functional reconstitution of an MCU-EMRE complex from the red flour beetle, Tribolium castaneum, and a cryo-EM structure of the complex at 3.5 Å resolution. Robust Ca2+ uptake is observed into proteoliposomes containing the purified complex and is dependent on EMRE. The structure reveals a tetrameric channel with a single ion pore. EMRE is located at the periphery of the transmembrane domain and associates primarily with the first transmembrane helix of MCU. Coiled coil and juxtamembrane domains within the matrix portion of the complex adopt markedly different conformations than in a structure of a human MCU-EMRE complex, suggesting that the structures represent different conformations of these functionally similar metazoan channels.

Single-ion conducting (SIC) polymer electrolytes with a high Li transference number (tLi+) have shown the capability to enable enhanced battery performance and safety by avoiding liquid–electrolyte...

The prediction of solvation free energies is essential for a variety of applications. Solvation free energies of neutral systems can be predicted quite accurately. The accuracy of predictions for solvation free energies of ionic solutes dissolved in neutral solvents, however, has been reported to be worse by at least 1 order of magnitude. In this study, the performance of three approaches for solvation free energy prediction of several hundred ions dissolved in neutral solvents is evaluated. The applied methods are COSMO-RS, cluster continuum model (CCM) together with COSMO-RS, and COSMO-RS-ES. It is emphasized that the reference data for model evaluation are subject to large uncertainties stemming from the impossibility to measure the so-called elusive absolute free energies of solvation of a single ion. Consequently, such uncertainty must be considered during the evaluation of prediction methods. Therefore, a straightforward approach to account for the underlying uncertainty is applied here. Hereby, it is revealed that the true performance of the method is better than what is often reported. The average absolute deviation (AAD) of COSMO-RS is calculated to be 2.3 kcal mol-1, while applying the CCM and COSMO-RS-ES each results in AADs of 2.0 kcal mol-1. This accuracy allows for qualitative assessment of solvation free energy-dependent quantities, such as reaction rate constants.

We report on a transportable and easy-to-operate optical clock utilizing the 2S1/2 - 2D3/2 transition of a single trapped 171Yb+ ion at 436 nm. Developed within a pilot project for quantum technology in Germany lead by industry, the clock is set up in two 19″ racks. In this way, transportation can easily be realized, and the large degree of automatization allows for operation outside highly specialized laboratories for applications beyond basic research. Comparisons to existing high-accuracy optical clock systems enable a verification of the clock's stability and uncertainty budget at the low 10−17 level. During these tests, operation with 99.8% availability over more than 14 days has been achieved.

The magnetization (both dc and ac) of pyrochlore Eu2Ti2O7 have been investigated. Ac susceptibility measurements reveal a new unusual spin freezing below 35K for pure Eu2Ti2O7. Frequency dependence of these ac peak positions indicate slow spin relaxation near this temperature and it follows the Arrhenius formula suggesting a thermally activated relaxation process. The origin of this spin freezing has been attributed essentially to a single ion process which is associated to Eu3+ spin relaxation. Non-magnetic dilution by Y3+ ions also confirms the single ion freezing., Comment: 15 pages, 6 figures

Mononuclear lanthanide-based single-ion magnets (SIMs) are known since 2003 with the discovery of SIM properties in a bis-(phthalocyaninato)lanthanide complex. A recent report on [Dy(Cpttt)2][BC6F5] indicating that it exhibits the highest known blocking temperature (60 K) has spurred fresh interest in this area. In this article, we discuss about the various requirements of lanthanide-based SIMs along with representative examples. Specifically, we describe the complexes whose coordination numbers vary from 2 to 8. We also discuss the representative examples of organometallic lanthanide complexes that can function as molecular magnets.

A β-diketonate mononuclear dysprosium compound, [Dy(TFNB)3(bpy)] (1) (TFNB = 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione, bpy = 2,2′-bipyridine), has been prepared and structurally and magnetically characterized. X-ray crystallographic analysis reveals that 1 contains two crystallographically equivalent Dy(III) ions of which the eight-coordinate geometries uniformly behave as distorted square antiprismatic configurations (D4d). Magnetic investigations demonstrate that 1 displays dual relaxation processes of SMMs behavior with the effective barrier (ΔE/kB) of 23.44 K under 1200 Oe DC field, corresponding to the coexistence of two metal centers in the structure of the compound. The comparative studies of some Dy(III)-based SIMs with TFNB ligand have been conducted as well. Ab initio studies demonstrate that the Kramers doublet ground state is predominantly axial with the gz tensors of two Dy(III) fragments matching the Ising-limit factor (20) anticipated for the pure MJ = ±15/2 state.

Carbide clusterfullerene DyYTiC@C80-Ih with three different metal atoms in the endohedral cluster is obtained by arc-discharge synthesis with methane as reactive gas and is successfully isolated by HPLC. The compound shows single-molecule magnetism (SMM) with magnetic hysteresis below 8 K. The SMM properties of DyYTiC@C80 are compared to those of DySc2N@C80 and the influence of the central atom in the endohedral cluster is analyzed.

The computational predictions of 1H NMR chemical shifts for ionic liquids were investigated. To calculate the chemical shifts more accurately, the approach of relative reference standard (RRS) was proposed. This straightforward computational technique uses organic compounds and ionic liquids that are similar to the studied ionic liquids as standards. The calculated chemical shifts of single ion pairs were strongly influenced by the anion type and the local environment. Using the RRS methodology, the calculated results agreed well with the experimental chemical shifts due to the cancellation of errors caused by the anion. Ionic clusters consisting of 4 ion pairs were also employed to model the ionic liquids with strongly coordinating anions. Large clusters slightly improve the accuracy by reducing systematic errors. Although the experimental 1H NMR data of the reference ionic liquid should be used, the RRS methodology has been shown to predict 1H NMR chemical shifts efficiently at different levels of theory.

Polycyclic aromatic hydrocarbons (PAH) were measured in sediments from 14 locations in Port Valdez, Alaska in an effort to understand changes associated with the operation of a marine terminal where crude oil delivered by pipeline was transferred to tankers for marine shipment. Samples of surficial sediment were collected annually from 1989 through 2019 at water depths of roughly 30 to 240 m by haps corer of Van Veen grab. PAH concentrations were determined by flame-ionization gas chromatography from 1989 to 2002 and by single ion monitoring gas chromatography-mass spectrometry from 2003 to 2019. Geographic coordinates and environmental variables (water depth, total organic carbon, and sediment grain-size) were also determined. The data are useful for comparisons to trend data elsewhere as well as the investigation of measurement uncertainty in chemical measurements.

In this paper we investigated the calculation of the anodic limit of two anions of ionic liquids, largely used as electrolyte of lithium batteries. Starting from a model based on calculations performed on single ions at the MP2 level of theory, we showed that the matching between calculation and experiments decreases while using more expanded basis set with respect to 6-31G**, possibly because of the destabilization of the neutral species when larger basis sets are considered. Additionally, in order to decrease the computational time, the performances for the calculation of the anodic limit obtained by means of a series of DFT functionals with increasing level of complexity (from the Generalized Gradient Approximation to the Range Separated Hybrid meta-Generalized Gradient Approximation) were compared. Overall, the best performing functionals are BMK, ωB97M-V and MN12-SX, while acceptable results can be obtained by M06-2X, M11, M08-HX and M11-L. Some less computationally expensive functionals, like CAM-B3LYP and ωB97X-D, also provide reasonable values of the anodic limit.

Improvements in the systematic uncertainty and stability of 40Ca+ optical clocks could contribute to changing the reference of time or frequency in the future.

Endogenous nature of GHB represents a critical issue for forensic toxicologists, especially in alleged sexual assaults. Therefore, discrimination between physiologically and additional amounts from exogenous sources of such a substance must be effective and reliable in order to avoid severe misinterpretation. This study aimed to quantify the GHB baseline concentrations in chest and pubic hairs collected from 105 healthy volunteers, non-consumers of any drugs of abuse. The final scope was to investigate if these keratin matrices could represent valid alternative to scalp hair when not available. Moreover, we also evaluated the age and gender influences on the GHB baseline levels. 25 mg of hair were incubated overnight with NaOH at 56 °C. After acidification with H2SO4, the solution was liquid-liquid extracted with ethyl acetate and a trimethylsilyl derivatization was then achieved. Analysis was performed in gas chromatography-mass spectrometry in single ion monitoring mode (m/z 233, 234, 147 for GHB; m/z 239, 240 and 147 for GHB-d6). The endogenous amount in “blank” hair was estimated by the standard addition method (0.301 for chest hair and 0.235 ng/mg for pubic hair). GHB concentration ranged from 0.205 to 1.511 ng/mg for chest hair and from 0.310 to 1.913 ng/mg for pubic hair. These values were consistent with previous studies on scalp hair and on pubic hair. Unfortunately, research on chest hair is not available in literature. T-Test and Linear Regression highlighted no statistically significant differences for the two matrices and for all age/gender sub-groups. However, further studies are required to estimate a reliable cut-off value for these keratin matrices. For the first time, we demonstrated the suitability of chest and pubic hair to detect endogenous levels of GHB.

Nuclear Magnetic Resonance is particularly sensitive to the electronic structure of matter and is thus a powerful tool to characterize in-depth the magnetic properties of a system. NMR is indeed increasingly recognized as an ideal tool to add precious structural information for the development of Single Ion Magnets, small complexes that are recently gaining much popularity due to their quantum computing and spintronics applications. In this review, we recall the theoretical principles of paramagnetic NMR, with particular attention to lanthanoids, and we give an overview of the recent advances in this field.

Over the past four decades, the patch clamp technique and nicotinic ACh (nACh) receptors have established an enduring partnership. Like all good partnerships, each partner has proven significant in its own right, while their union has spurred innumerable advances in life science research. A member and prototype of the superfamily of pentameric ligand-gated ion channels, the nACh receptor is a chemo-electric transducer, binding ACh released from nerves and rapidly opening its channel to cation flow to elicit cellular excitation. A subject of a Nobel Prize in Physiology or Medicine, the patch clamp technique provides unprecedented resolution of currents through single ion channels in their native cellular environments. Here, focusing on muscle and α7 nACh receptors, we describe the extraordinary contribution of the patch clamp technique towards understanding how they activate in response to neurotransmitter, how subtle structural and mechanistic differences among nACh receptor subtypes translate into significant physiological differences, and how nACh receptors are being exploited as therapeutic drug targets.

We have developed a new strategy for the design and synthesis of multifunctional molecular materials showing reversible magnetic and optical switching., A vast impact on molecular nanoscience can be achieved using simple transition metal complexes as dynamic chemical systems to perform specific and selective tasks under the control of an external stimulus that switches “ON” and “OFF” their electronic properties. While the interest in single-ion magnets (SIMs) lies in their potential applications in information storage and quantum computing, the switching of their slow magnetic relaxation associated with host–guest processes is insufficiently explored. Herein, we report a unique example of a mononuclear cobalt(ii) complex in which geometrical constraints are the cause of easy and reversible water coordination and its release. As a result, a reversible and selective colour and SIM behaviour switch occurs between a “slow-relaxing” deep red anhydrous material (compound 1) and its “fast-relaxing” orange hydrated form (compound 2). The combination of this optical and magnetic switching in this new class of vapochromic and thermochromic SIMs offers fascinating possibilities for designing multifunctional molecular materials.

Ions in an IMS are mostly clustered or hydrated so that a single ion mobility peak usually contains a mixture of ions differing in their cluster size. In this study, a model is used to describe the average mobility and drift time based on the individual properties of the mixture. For this purpose, the following four fraction quantities are defined: length fraction, X i d , (i.e., the fraction of the drift tube along which the ion travels in the form of i); time fraction, X i t , (i.e., the fraction of the drift time during which the ion travels in the form of i); single ion time fraction, X i t o , (i.e., the time an ion spends as i in the drifting mixture divided by the drift time of pure i); and the mole fraction, Xi. It is shown that for a binary mixture of ions, the fraction quantities are related by ( X A = X A t ) = ( X A d = X A t o ) × ( X A + α . X B ) , where α=KA/KB is the relative mobility of the two components. It is concluded that average mobility is related to the single ion mobilities in the form of K a v g = X 0 K 0 + X 1 K 1 + X 2 K 2 + .. . ., where, Xi is the mole fraction. However, the observed or the average drift time cannot be described in a similar manner. Rather, it must be inverted to tobs−1 = Xoto−1 + X1t1−1 + X2t2−1 + …. If, in case, it is expanded as tobs = αo to+ α1 t1+ α2 t2+ …, the coefficient αi will differ from the mole fractions.