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The noble gas argon is one of the most promising neuroprotective agents for hypoxic-reperfusion injuries of the brain. However, its effect on traumatic injuries has been insufficiently studied. The aim of this study was to analyze the effect of the triple inhalation of the argon-oxygen mixture Ar 70%/O2 30% on physical and neurological recovery and the degree of brain damage after traumatic brain injury and to investigate the possible molecular mechanisms of the neuroprotective effect. The experiments were performed in male Wistar rats. A controlled brain injury model was used to investigate the effects of argon treatment and the underlying molecular mechanisms. The results of the study showed that animals with craniocerebral injuries that were treated with argon inhalation exhibited better physical recovery rates, better neurological status, and less brain damage. Argon treatment significantly reduced the expression of the proinflammatory markers TNFα and CD68 caused by TBI, increased the expression of phosphorylated protein kinase B (pAKT), and promoted the expression of the transcription factor Nrf2 in intact animals. Treatment with an argon-oxygen breathing mixture after traumatic brain injury has a neuroprotective effect by suppressing the inflammatory response and activating the antioxidant and anti-ischemic system. [ABSTRACT FROM AUTHOR]

The colourless, odourless and monoatomic gas, helium, is considered as the second most abundant element in the universe after hydrogen. Helium is classified as a noble gas and it is the lightest noble gas. Noble gases including helium, although extremely inert chemically, display a remarkable spectrum of clinically useful biological properties. Medically, helium's applications range from respiratory care, where it facilitates easier breathing through heliox mixtures, to cardiology and neurology, where it offers cardioprotection and neuroprotection during ischemia/reperfusion injuries. [ABSTRACT FROM AUTHOR]

Aiming at understanding the source of the fluids that mineralizing within seismically active fault zones, we investigate the noble gas isotopes (i.e., helium (He), neon (Ne), and argon (Ar)) in the fluid inclusions (FIs) trapped in the calcite veins sampled along high‐angle fault zones of the Contursi hydrothermal basin, southern Italy. The latter basin lies in close vicinity of the MW = 6.9, 1980 Irpinia earthquake and exposes numerous fault scarps dissecting Mesozoic shallow‐water carbonates. The analyses of noble gases (He, Ne, Ar) are conducted to identify the origin of the volatiles circulating along the faults at the time of calcite precipitation. Then, outcomes of this discussions are compared with currently outgassing of deep‐sourced CO2 coupled to mantle‐derived He in that area, whose output is larger than those from some volcanic areas worldwide. The results indicate that He in FIs is dominated by a crustal radiogenic component (4He), and by an up to 20% of a mantle‐derived component (3He), with a highest isotopic signature of 1.38 Ra. This value is consistent with the highest percentage of mantle‐derived He associated to high‐flux CO2 gas emission in the investigated area (1.41 Ra). We propose that the variability of the He isotopic signature measured in primary FIs can result from early trapping of fluid inclusions or post trapping processes and seismic activity that modify the pristine He isotopic signature (i.e., derived from the crust and/or mantle) in groundwater along the faults during periods of background seismicity. Such investigations are fundamental to understand fluid migration in fault systems and the role of fluids in processes of earthquake nucleation. Key Points: Paleofluids in the studied seismogenic fault derive from the mixing between crustal and mantle (∼20%) derived fluidsThe variability of the He isotopic signature registered in fluid inclusions results from either early trapping processes (due to past possible earthquakes events) or post trapping processes by addition of radiogenic 4He produced within fractured calcite veins over time (vein aging)The pristine mantle source has been active in the Irpinia area (southern Italy) for at least 1 Ma based on the post trapping process [ABSTRACT FROM AUTHOR]

Tellurium (Te)-bearing adularia-sericite epithermal Au-Ag deposits are widely distributed in calc-alkaline magmatic arcs and are an important current and future source of precious and critical metals. The source of ore-forming fluids in these deposits remains unclear due to the lack of in situ isotopic evidence on Au-, Ag-, and Te-bearing minerals. To advance the understanding of the source and evolution of Te and precious metals, herein, we combine in situ Pb isotope analysis with He, Ne, and Ar isotope and microthermometric analysis of fluid inclusions in ore and gangue minerals from two Te-rich and two Te-poor epithermal Au-Ag deposits that occur in an Early Cretaceous magmatic arc in the North Heilongjiang Belt, northeastern China. Ore minerals (hessite, petzite, calaverite, altaite, pyrite, chalcopyrite, and galena) from Te-rich Au-Ag deposits, including Sandaowanzi and Yongxin, have the least radiogenic Pb isotope compositions (206Pb/204Pb from 18.1 to 18.3) and the lowest μ1 values (the 238U/204Pb ratio of the lead source down to 9.14) of the deposits studied. For these Te-rich deposits, noble gas isotope data show that fluid inclusions in ore minerals contain a large proportion of mantle He (up to 25%), whereas barren early-stage minerals do not (<1%). The Pb, noble gas isotope, and fluid inclusion microthermometric results suggest that Te-rich ore-forming fluids were likely discharged from mafic magmas into convecting meteoric flow systems at shallow levels (<2 km). In contrast to the Te-rich deposits, ore minerals from the Te-poor Dong'an Au-Ag deposit have radiogenic Pb isotope compositions (206Pb/204Pb from 18.8 to 18.9) and the highest μ1 values (up to 10.54). Fluid inclusions in ore minerals contain a small proportion of mantle He (1% to 5%). The results suggest that metals and ore-forming fluids in these deposits were discharged from either more crustally contaminated intermediate-felsic magmas or leached from upper crustal rocks by convecting meteoric flow systems. Although the Te-poor Tuanjiegou Au-Ag deposit has a non-radiogenic Pb isotope composition consistent with a mafic magma source, Te is much less abundant (electrum [>95%] is the major gold- and silver-bearing mineral) than Au. The main exploration implication of these results is that unexplored volcano-plutonic centers in the northeast Xing'an Block with less radiogenic Pb isotope compositions (206Pb/204Pb < 18.3) and containing fluids with a high proportion of mantle He are more likely to generate Te-rich epithermal Au-Ag deposits than other volcano-plutonic centers in NE China. [ABSTRACT FROM AUTHOR]

Abstract Aiming at understanding the source of the fluids that mineralizing within seismically active fault zones, we investigate the noble gas isotopes (i.e., helium (He), neon (Ne), and argon (Ar)) in the fluid inclusions (FIs) trapped in the calcite veins sampled along high‐angle fault zones of the Contursi hydrothermal basin, southern Italy. The latter basin lies in close vicinity of the MW = 6.9, 1980 Irpinia earthquake and exposes numerous fault scarps dissecting Mesozoic shallow‐water carbonates. The analyses of noble gases (He, Ne, Ar) are conducted to identify the origin of the volatiles circulating along the faults at the time of calcite precipitation. Then, outcomes of this discussions are compared with currently outgassing of deep‐sourced CO2 coupled to mantle‐derived He in that area, whose output is larger than those from some volcanic areas worldwide. The results indicate that He in FIs is dominated by a crustal radiogenic component (4He), and by an up to 20% of a mantle‐derived component (3He), with a highest isotopic signature of 1.38 Ra. This value is consistent with the highest percentage of mantle‐derived He associated to high‐flux CO2 gas emission in the investigated area (1.41 Ra). We propose that the variability of the He isotopic signature measured in primary FIs can result from early trapping of fluid inclusions or post trapping processes and seismic activity that modify the pristine He isotopic signature (i.e., derived from the crust and/or mantle) in groundwater along the faults during periods of background seismicity. Such investigations are fundamental to understand fluid migration in fault systems and the role of fluids in processes of earthquake nucleation.

The colourless, odourless and monoatomic gas, helium, is considered as the second most abundant element in the universe after hydrogen. Helium is classified as a noble gas and it is the lightest noble gas. Noble gases including helium, although extremely inert chemically, display a remarkable spectrum of clinically useful biological properties. Medically, helium’s applications range from respiratory care, where it facilitates easier breathing through heliox mixtures, to cardiology and neurology, where it offers cardioprotection and neuroprotection during ischemia/reperfusion injuries.

Geochemistry of noble gases has been applied to the study of deep Earth materials and celestial meteorites. With advancements in measurement technology, it is also increasingly being used in natural gas research. Using the most advanced noble gas mass spectrometer, a systematic analysis was conducted on the abundance and isotopes of noble gas samples collected from the middle and deep Songliao Basin in eastern China to elucidate the compositional characteristics of noble gases in a faulted basin. The findings reveal that the abundance of noble gases in natural gas decreases from light noble gases to heavy noble gases in a left-to-right reversed L-shaped pattern. Specifically, the isotopic ratios of noble gases are: 3He/4He at 2.64×10-6, 20Ne/22Ne at 9.94, 21Ne/22Ne at 0.029 22, and 40Ar/36Ar at 743.7, all of which are higher than atmospheric values. The isotopes 80Kr, 84Kr, 86Kr, and 131-136Xe show relative excess compared to atmospheric levels, indicating the mixing of mantle-derived gases in the natural gas. Based on the compositional characteristics of noble gases, this study suggests that the natural gas in the middle and deep Songliao Basin originated from inorganic crust and mantle mixing. Additionally, certain differences exist in the contribution of mantle-derived components across different tectonic blocks and categories of natural gas within the basin. Comparison between noble gas compositions and the types of natural gas demonstrates that light noble gases distinguish effectively between different types of natural gas, whereas the composition of heavy noble gases shows no significant differences among various types of natural gas. Noble gas isotopes, in addition to tracing the source of natural gas, can also be used to determine natural gas genesis, distinguish natural gas types and characterize tectonic settings.

The molecular and isotopic compositions of shale gases exhibit substantial differences under different storage conditions. Gas geochemistry is widely used when evaluating gas accumulation and expulsion in petroleum systems. Gas geochemical characteristics can provide important references for determining the enrichment mechanism of shale gas reservoirs and predicting shale gas production capacity in different regions. In tectonically stable regions with similar reservoir formation and evolution histories, shale gas reservoirs are expected to exhibit favorable storage conditions with only relatively small variations in gas geochemical characteristics. In tectonically active regions, shale gas preservation conditions are expected to be more variable. In this study, we systematically analyzed the stable isotope signatures (δ[sup 13]C and δD) of alkane gases (CH4, C2H6, and C3H8), along with noble gas compositions and isotopic signatures, of normally pressured Wufeng-Longmaxi marine shale gas samples comprising a continuous pressure coefficient series from a structurally active region at the transition between an orogenic belt and the southeastern (SE) Sichuan Basin, China. The relationships between noble gas contents, isotopic signatures, and shale gas yields were evaluated, and a mechanism for normally pressured shale gas accumulation and expulsion was presented. The δ13C and δD data suggest that the normally pressured shale gas originated from late-mature thermogenic generation, equivalent to shale gas from other production areas in the inner Sichuan Basin. Gas dryness ratios [C[sub 1]/(C[sub 2] + C[sub 3])] exhibit negative relationships with δ13C1 and δ13C2. Normally pressured shale gas yields exhibit a negative correlation with δ13C and a positive correlation with [C1/(C2 + C3)], suggesting differences in shale gas accumulation and expulsion across the studied region related to changes in the pressure coefficient. Noble gas isotope data suggest that the normally pressured Longmaxi shale gas received a substantial contribution of crust-derived He. Coupling noble gas and stable C/H isotope data reveals that the abundance of He and Ar, along with the δ13C signatures of alkane gases, is affected by the abundance of shale gas during the accumulation and expulsion process. The noble gas and stable isotope distribution trends presented herein can be used to evaluate Wufeng-Longmaxi's normally pressured shale gas accumulation and expulsion in complex structural areas of the southeastern Sichuan Basin. Better preservation conditions accompanying lower tectonic activity will normally result in higher shale gas production and a lower concentration of noble gases. The above findings show that gas geochemical characteristics could be used as effective evaluation indicators for determining shale gas accumulation mechanisms in tectonically active regions. [ABSTRACT FROM AUTHOR]

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Abstract Noble gases are useful tracers for geochemistry, used to elucidate the origin and evolution of the solar system and planets. Noble gas analyses have been limited to bulk and spot analyses of solids and have yet to be developed for two- and three-dimensional imaging analysis. Recent developments in He isotope imaging using secondary neutral mass spectrometry are reviewed. The images have been fully quantified, and the spatial resolution has reached the nanoscale. The detection limit has been reduced to the level of ~ 10–3 cm3 STP g−1 (~ 1017 cm−3, ~ 1 ppma) for helium at lateral micrometer resolution. With this development, the concentration distribution of He in solids has been visualized as a map for the first time.

Quantum amplification enables the enhancement of weak signals and is of great importance for precision measurements, such as biomedical science and tests of fundamental symmetries. Here, we observe a previously unexplored magnetic amplification using dark noble-gas nuclear spins in the absence of pump light. Such dark spins exhibit remarkable coherence lasting up to 6 min and the resilience against the perturbations caused by overlapping alkali-metal gas. We demonstrate that the observed phenomenon, referred to as "dark spin amplification," significantly magnifies magnetic field signals by at least three orders of magnitude. As an immediate application, we showcase an ultrasensitive magnetometer capable of measuring subfemtotesla fields in a single 500-s measurement. Our approach is generic and can be applied to a wide range of noble-gas isotopes, and we discuss promising optimizations that could further improve the current signal amplification up to 104 with 21Ne, 105 with 129Xe, and 106 with 3He. This work unlocks opportunities in precision measurements, including searches for ultralight dark matter with sensitivity well beyond the supernova-observation constraints. [ABSTRACT FROM AUTHOR]

This is the first in vivo study to investigate the neuroprotective effects of krypton on focal cerebral ischemia. The aim of the study was to analyze the effect of 2 h of inhalation of a krypton–oxygen mixture (Kr 70%/O2 30%) on the recovery of neurological functions and the degree of brain damage in rats after photoinduced ischemic stroke (PIS) and to investigate the possible mechanisms responsible for this neuroprotection. Experiments were performed on male Wistar rats weighing 250–300 g (n = 32). Animals were randomized into four groups. Two groups (n = 20) underwent photoinduced ischemic stroke, followed by 2 h of inhalation of krypton–oxygen mixture consisting of Kr 70%/O2 30% or a nitrogen–oxygen breathing mixture consisting of N2 70%/O2 30%, followed by neurological examinations on days 3 and 7. The other two groups (n = 12) received only gas mixtures of the same concentration and exposure duration as in those in the PIS groups, then Western blot analysis of the potential molecular mechanisms was performed. The results of the study show that treatment with the krypton–oxygen mixture consisting of Kr 70%/O2 30% improves the neurological status on day 7 of observation, reduces the lesion volume according to the MRI examination and the number of Iba-1- and caspase-3-positive cells in the damaged area, promotes the activation of neoangiogenesis (an increase in the von Willebrand factor), and reduces the penumbra area and the number of NeuN-positive cells in it on day 14 of observation. Inhalation of the krypton–oxygen mixture also significantly increases the levels of phosphorylated AKT kinase (protein kinase B) and glycogen synthase kinase 3b (pGSK3b) and promotes the expression of transcription factor Nrf2, which was accompanied by the lowered expression of transcription factor NFkB (p50). Thus, we showed pronounced neuroprotection induced by krypton inhalation after stroke and identified the signaling pathways that may be responsible for restoring neurological functions and reducing damage. [ABSTRACT FROM AUTHOR]

Gas adsorption on one-atom-thick membranes is a growing technology for separation applications owing to its excellent energy efficiency. Herein, we investigate the adsorption of the noble gases, Ne, Ar and Kr on graphynes (GYs), a novel class of one-atom-thick carbon membranes using a swarm intelligence technique, namely particle swarm optimization (PSO). Modeling the adsorption of noble gas clusters on two-dimensional substrates requires a thorough examination of the energy landscape. The high dimensionality of the problem makes it tricky to employ ab initio methods for such studies, necessitating the use of a metaheuristic global optimization technique such as PSO. We explored the adsorption of 1–30 atoms of Ne, Ar and Kr on α-, β-, γ- and rhombic-GYs to predict the most suitable form of GY for the adsorption of each of the gases. Employing the dispersion-corrected density functional theory (DFT-D) data for the adsorption of single gas atoms as the reference data, we parametrized two empirical pairwise potentials, namely, Lennard-Jones (LJ) and improved Lennard-Jones (ILJ) potentials. We then analyzed the growth pattern as well as the energetics of adsorption using the parametrized potentials, in combination with the PSO technique, which enabled us to predict the best possible membrane for the adsorption of the noble gases: α-GY for Ne and γ-GY for Ar and Kr. The accuracy of our modeling approach is further validated against DFT-D computations thereby establishing that PSO, when combined with the ILJ potential, can serve as a computationally feasible approach for modeling gas adsorption on GYs.

Summary: Background: Argon (Ar) has been proposed as a potential therapeutic agent in multiple clinical conditions, specifically in organ protection. However, conflicting data on pre-clinical models, together with a great variability in Ar administration protocols and outcome assessments, have been reported. The aim of this study was to review evidence on treatment with Ar, with an extensive investigation on its neuroprotective effect, and to summarise all tested administration protocols. Methods: Using the PubMed database, all existing pre-clinical and clinical studies on the treatment with Ar were systematically reviewed (registration: https://doi.org/10.17605/OSF.IO/7983D). Study titles and abstracts were screened, extracting data from relevant studies post full-text review. Exclusion criteria included absence of full text and non-English language. Furthermore, meta-analysis was also performed to assess Ar potential as neuroprotectant agent in different clinical conditions: cardiac arrest, traumatic brain injury, ischemic stroke, perinatal hypoxic-ischemic encephalopathy, subarachnoid haemorrhage. Standardised mean differences for neurological, cognitive and locomotor, histological, and physiological measures were evaluated, through appropriate tests, clinical, and laboratory variables. In vivo studies were evaluated for risk of bias using the Systematic Review Center for Laboratory Animal Experimentation tool, while in vitro studies underwent assessment with a tool developed by the Office of Health Assessment and Translation. Findings: The systematic review detected 60 experimental studies (16 in vitro, 7 ex vivo, 31 in vivo, 6 with both in vitro and in vivo) investigating the role of Ar. Only one clinical study was found. Data from six in vitro and nineteen in vivo studies were included in the meta-analyses. In pre-clinical models, Ar administration resulted in improved neurological, cognitive and locomotor, and histological outcomes without any change in physiological parameters (i.e., absence of adverse events). Interpretation: This systematic review and meta-analysis based on experimental studies supports the neuroprotective effect of Ar, thus providing a rationale for potential translation of Ar treatment in humans. Despite adherence to established guidelines and methodologies, limitations in data availability prevented further analyses to investigate potential sources of heterogeneity due to study design. Funding: This study was funded in part by Italian Ministry of Health-Current research IRCCS and by Ministero della Salute Italiano, Ricerca Finalizzata, project no. RF 2019-12371416.

The noble gas argon has demonstrated biological activity that may prove useful as a medical intervention. Pharmacokinetics, the disposition of the drug molecule in the body through time, is fundamental necessary knowledge to drug discovery, development and even post-marketing. The fundamental measurement in pharmacokinetic studies is blood concentration of the molecule (and its metabolites) of interest. While a physiologically based model of argon pharmacokinetics has appeared in the literature, no experimental data have been published. Thus, argon pharmaceutical development requires measurement of argon solubility in blood. This paper reports on the development of a technique based on mass spectrometry for measuring argon solubility in liquids, including blood, to be further employed in pharmacokinetics testing of argon. Based on a prototype, results are reported from sensitivity experiments using ambient air, water and rabbit blood. The key takeaway is that the system was sensitive to argon during all of the testing. We believe the technique and prototype of the quadrupole mass spectrometer gas analyzer will be capable of inferring argon pharmacokinetics through the analysis of blood samples. [ABSTRACT FROM AUTHOR]

In this study, we employ strong field approximation (SFA) to investigate the influence of the number of pulse cycles on above-threshold ionization within the framework of nondipole theory. The SFA enables the analysis of the ionization process under the dominance of the electric field, compared to other factors such as the binding potential of an atom. Nondipole effects, including higher-order multipole fields, can significantly impact ionization dynamics. However, the interaction between nondipole effects and pulse cycles remains unclear. Therefore, we investigate the pulse cycle dependence of ionization and examine peak shifts in Kr and Ar atoms. Our findings have implications for comprehensively understanding the effects of electromagnetic fields on electron behavior. The insights gained from this study provide valuable guidance for future research in strong field ionization. [ABSTRACT FROM AUTHOR]

The analysis and measurement of Wigner time delays can provide detailed information about the electronic environment within and around atomic and molecular systems, with one the key differences being the lack of a long-range potential after a halogen ion undergoes photoionization. In this work, we use relativistic random-phase approximation to calculate the average Wigner delay from the highest occupied subshells of the atomic pairings (2p, 2s in Fluorine, Neon), (3p, 3s in Chlorine, Argon), (4p, 4s, 3d, in Bromine, Krypton), and (5p, 5s, 4d in Iodine, Xenon). The qualitative behaviors of the Wigner delays between the isoelectronic pairings were found to be similar in nature, with the only large differences occurring at photoelectron energies less than 20   e V and around Cooper minima. Interestingly, the relative shift in Wigner time delays between negatively charged halogens and noble gases decreases as atomic mass increases. All atomic pairings show large differences at low energies, with noble gas atoms showing large positive Wigner delays, while negatively charged halogen ions show negative delays. The implications for photoionization studies in halide-containing molecules is also discussed. [ABSTRACT FROM AUTHOR]

This is the first in vivo study to investigate the neuroprotective effects of krypton on focal cerebral ischemia. The aim of the study was to analyze the effect of 2 h of inhalation of a krypton–oxygen mixture (Kr 70%/O2 30%) on the recovery of neurological functions and the degree of brain damage in rats after photoinduced ischemic stroke (PIS) and to investigate the possible mechanisms responsible for this neuroprotection. Experiments were performed on male Wistar rats weighing 250–300 g (n = 32). Animals were randomized into four groups. Two groups (n = 20) underwent photoinduced ischemic stroke, followed by 2 h of inhalation of krypton–oxygen mixture consisting of Kr 70%/O2 30% or a nitrogen–oxygen breathing mixture consisting of N2 70%/O2 30%, followed by neurological examinations on days 3 and 7. The other two groups (n = 12) received only gas mixtures of the same concentration and exposure duration as in those in the PIS groups, then Western blot analysis of the potential molecular mechanisms was performed. The results of the study show that treatment with the krypton–oxygen mixture consisting of Kr 70%/O2 30% improves the neurological status on day 7 of observation, reduces the lesion volume according to the MRI examination and the number of Iba-1- and caspase-3-positive cells in the damaged area, promotes the activation of neoangiogenesis (an increase in the von Willebrand factor), and reduces the penumbra area and the number of NeuN-positive cells in it on day 14 of observation. Inhalation of the krypton–oxygen mixture also significantly increases the levels of phosphorylated AKT kinase (protein kinase B) and glycogen synthase kinase 3b (pGSK3b) and promotes the expression of transcription factor Nrf2, which was accompanied by the lowered expression of transcription factor NFkB (p50). Thus, we showed pronounced neuroprotection induced by krypton inhalation after stroke and identified the signaling pathways that may be responsible for restoring neurological functions and reducing damage.

The noble gas helium (He) induces cardioprotection in vivo through unknown molecular mechanisms. He can interact with and modify cellular membranes. Caveolae are cholesterol and sphingolipid-enriched invaginations of the plasma-membrane-containing caveolin (Cav) proteins that are critical in protection of the heart. Mice (C57BL/6J) inhaled either He gas or adjusted room air. Functional measurements were performed in the isolated Langendorff perfused heart at 24 h post He inhalation. Electron paramagnetic resonance spectrometry (EPR) of samples was carried out at 24 h post He inhalation. Immunoblotting was used to detect Cav-1/3 expression in whole-heart tissue, exosomes isolated from platelet free plasma (PFP) and membrane fractions. Additionally, transmission electron microscopy analysis of cardiac tissue and serum function and metabolomic analysis were performed. In contrast to cardioprotection observed in in vivo models, the isolated Langendorff perfused heart revealed no protection after He inhalation. However, levels of Cav-1/3 were reduced 24 h after He inhalation in whole-heart tissue, and Cav-3 was increased in exosomes from PFP. Addition of serum to muscle cells in culture or naïve ventricular tissue increased mitochondrial metabolism without increasing reactive oxygen species generation. Primary and lipid metabolites determined potential changes in ceramide by He exposure. In addition to direct effects on myocardium, He likely induces the release of secreted membrane factors enriched in caveolae. Our results suggest a critical role for such circulating factors in He-induced organ protection.

Xenon capture and Xe/Kr separation are important processes in industry. For instance, Xe/Kr separation is an indispensable step in recycle and treatment of nuclear fuel emission. Among different separation methods, selectively adsorb gas molecules using porous materials is a promising way to reduce the high energy consumption in traditional cryogenic distillation. However, many reported adsorbents still face the challenges of: i) poor separation property at low Xe/Kr concentrations; ii) insufficient retention volumes, which influence the viability of whole process. In this work, we present a stable covalent organic polymer, i.e., COP-14, showing promising potential for Xe/Kr separiton. In dynamic breakthrough experiments, COP-14 successfully separates low concentration Xe (350 ppm) and Kr (35 ppm) from target gas mixtures. Meanwhile, the xenon retention volume per gram (1700 mL g−1 at 298 K) of COP-14 in dynamics absorption process achieves 3.8 times of benchmark active carbon. The good performance of the newly devloped COP-14 mainly from its rich nitrogen sites and suitable pore size with xenon molecues. The promising results of COP-14 on Xe/Kr separation in this work provide a promising way for designing efficient Xe/Kr separation mateirals.

This article provides a discussion on the nature of bonding between noble gases (Ng) and noble metals (M) from a quantum chemical perspective by investigating compounds such as NgMY (Y=CN, O, NO3, SO4, CO3), [NgM−(bipy)]+, NgMCCH, and MCCNgH complexes, where M=Cu, Ag, Au and Ng=Kr−Rn, with some complexes containing the lighter noble gas atoms as well. Despite having very low chemical reactivity, noble gases have been observed to form weak bonds with noble metals such as copper, gold, and silver. In this study, we explore the factors that contribute to this unusual bonding behavior, including the electronic structure of the atoms involved and the geometric configuration of the concerned fragments. We also investigate the metastable nature of the resulting complexes by studying the energetics of their possible dissociation and internal isomerization channels. The noble gas-binding ability of the bare metal cyanides are higher than most of their bromide counterparts, with CuCN and AgCN showing higher affinity than their chloride analogues as well. In contrast, the oxides seem to have lower binding power than their corresponding halides. In the oxide and the bipyridyl complexes, the Ng-binding ability follows the order Au > Cu > Ag. The dissociation energies calculated, considering the zero-point energy correction for possible dissociation channels, increase as we move down the noble gas group. The bond between the noble gases and the noble metals in the complexes are found to have comparable weightage of orbital and electrostatic interactions, suggestive of a partial covalent nature. The same is validated from the topological analysis of electron density. [ABSTRACT FROM AUTHOR]

A density functional theory study is performed to determine the stability and bonding in the neon dimer inside the B30N30 fullerene cage, the fluxional B40 cage, and within non-fluxional cages such as B12N12 and C60. The nature of bonding in the Ne2 encapsulated B40 is compared with the that in other cages in an attempt to determine whether any possible alterations are brought about by the dynamical nature of the host cage apart from the associated confinement effects. The bonding analysis includes the natural bond order (NBO), Bader's Atoms-in-Molecules electron density analysis (AIM), and energy decomposition analysis (EDA), revealing the non-covalent nature of the interactions between the Ne atoms and that between the Ne and the cage atoms. The formation of all the Ne2@cage systems is thermochemically unfavourable, the least being that for the B30N30 cage, which can easily be made favourable at lower temperatures. The Ne-Ne distance is lowest in the smallest cage and increases as the cage size increase due to steric relaxation experienced by the dimer. The dynamical picture of the systems is investigated by performing ab initio molecular dynamics simulations using the atom-centred density matrix propagation (ADMP) technique, which shows the nature of the movement of the dimer inside the cages, and by the fact that since it moves as a single entity, a weak bonding force holds them together, apart from their proven kinetic stability. [ABSTRACT FROM AUTHOR]

Almost all experimental studies of the characteristics of nuclear-excited plasma formed by excitation of gaseous media with nuclear reactions products are conducted at pulsed nuclear reactors that differ in the composition and design of the core, the duration, flux and fluence of the neutron pulse, the impulse repetition frequency, the volume and configuration of the irradiation space. This paper presents a description of the experimental (methodical and hardware) base of the National Nuclear Center of RK (Kurchatov) to conduct experiments on studying the threshold characteristics of laser action at the p-s-transition of noble gas atoms upon 6Li(n,α)3H nuclear reaction products excitation in conditions of a pulsed nuclear IGR reactor. To conduct in-pile reactor experiments, a special experimental facility was developed and constructed. The experimental facility functionally includes: in-pile experimental device, a gas–vacuum system, information and measurement system consisting of a system for registering and controlling the temperature of the device housing, and a system for registering optical radiation. The paper also briefly describes the methodology of in-pile reactor experiments on the pulsed nuclear reactor. [ABSTRACT FROM AUTHOR]

In recent years, inert gases such as helium, argon, and xenon have gained considerable attention for their medical value. Noble gases present an intriguing scientific paradox: although extremely chemically inert, they display a remarkable spectrum of clinically useful biological properties. Despite a relative paucity of knowledge about their mechanisms of action, some noble gases have been used successfully in clinical practice. The neuroprotection elicited by these noble gases has been investigated in experimental animal models of various types of brain injuries, such as traumatic brain injury, stroke, subarachnoid hemorrhage, cerebral ischemic/reperfusion injury, and neurodegenerative diseases. Collectively, these central nervous system injuries are a leading cause of morbidity and mortality every year worldwide. Treatment options are presently limited to thrombolytic drugs and clot removal for ischemic stroke, or therapeutic cooling for other brain injuries before the application of noble gas. Currently, there is increasing interest in noble gases as novel treatments for various brain injuries. In recent years, neuroprotection elicited by particular noble gases, xenon, for example, has been reported under different conditions. In this article, we have reviewed the latest in vitro and in vivo experimental and clinical studies of the actions of xenon, argon, and helium, and discuss their potential use as neuroprotective agents. [ABSTRACT FROM AUTHOR]

In the semiconductor industry, fluorocarbon (FC) plasma is widely used in SiO2 etching, with Ar typically employed in the dilution of the FC plasma due to its cost effectiveness and accessibility. While it has been reported that plasmas with other noble gases, namely Kr and Xe, have distinct physical properties such as electron density and temperature, their implementation into plasma etching has not been sufficiently studied. In this work, we conducted SiO2 etching with FC plasmas diluted with different noble gases, i.e., FC precursors of C4F8 and CH2F2 with Ar, Kr, or Xe, under various gas flow rates of each as well as plasma diagnostics for the process interpretation. We show that Ar, Kr, and Xe gas mixtures depend on the FC precursor flow rate and the pattern width in a significantly different manner and we elucidate these findings based on plasma diagnostic results. The results of this work are expected to offer a practical etching database for diverse applications including plasma process engineering and the development of plasma simulation in the semiconductor industry. [ABSTRACT FROM AUTHOR]

The reduction of energy losses and destroyed exergy requires the optimization of the double-glazing space. The poor thermophysical characteristics of the air are a limiting factor in the attenuation of heat loss through the double-glazing of the solar collector.The aim of this study is to examine the effect of trapped gases (argon, xenon, krypton, and SF6) within the double-glazing and between the inner glass and the absorber on the efficiency, useful energy, overall heat loss coefficient, and outlet temperature of the back-plate solar air heater. This research was conducted by applying constant solar radiation of 1000 W/m2. The new Eismann correlation is implemented to iteratively evaluate the heat transfer coefficients in gas-filled interspaces and to optimally define these distances. Furthermore, the impact of these gases on exergy efficiency, destruction exergy, and system exergy has been studied. Among these rare gases, xenon leads to the best thermal performance, followed by krypton and argon, compared to air. Respectively, the efficiencies obtained are 51.8%, 50.6%, 48.8%, and 45.8% for xenon, krypton, argon, and air. The optimal gas-filled spaces corresponding to these efficiencies are 4 mm, 5 mm, 9 mm, and 10 mm. Similarly, the exergy approach leads to the same optimal widths of the gas-filled spaces.

Shale gas exploration and development carry the risk of causing groundwater contamination and enhancing the greenhouse effect through methane leakage. Identifying the source of abnormal methane in groundwater of shale gas development areas is becoming a research hotspot in the fields of groundwater and climate change. This paper reviews the traditional methodology in identifying sources of methane and its deficiency in groundwater application. Then potential and advantages of using noble gases were discussed on how to overcome these limitations of the traditional method. Finally, based on noble gas, the current application status and future challenges of methane source identification in groundwater were analyzed. It can be summarized as: (1) due to chemical and/or microbial processes in the aquifer system, the traditional methodology for methane source identification, which utilizes molecular and isotopic compositions of hydrocarbon gas, has multiple interpretationsand large uncertainties; (2) the non-reactive nature and well-characterized isotopic compositions of noble gases in the atmosphere, hydrosphere, and crust, make noble gases ideal indicators of the sources of methane in groundwater. Moreover, the mechanism of formation and release of crustal noble gas prevent shale gas signatures from being interfered with by natural gas; (3) the key scientific tasks surrounding the use of noble gases for methane source identification include quantitatively separating the components of atmosphere-derived, mantle-derived, and crust-derived noble gases from the bulk noble gases in groundwater. It quantifies the solubility fractionation of noble gases induced by water-gas interaction during methane migration to the aquifer. The application of noble gases can bring a new perspective to tracing the source of methane in groundwater and is of great significance to the protection of groundwater quality in shale gas development areas and mitigation of climate change.

With the resurgence of interest in molten salt reactors, there is a need for new experiments and modeling capabilities to characterize the unique phenomena present in this fluid fuel system. A Versatile Experimental Salt Irradiation Loop (VESIL) is currently under investigation at Idaho National Laboratory to be placed in the Advanced Test Reactor (ATR). One of the key phenomena this proposed experiment plans to elucidate is fission product speciation in the fuel-salt and the subsequent effects this has on the fuel-salt properties, source term generation, and corrosion control. Specifically, noble gases (Xe & Kr) will bubble out to a plenum or off-gas system, and noble metals (Mo, Tc, Te, etc.) will precipitate and deposit in specific zones in the loop. This work extends the mass transfer and species interaction models in CTF (Coolant-Boiling in Rod Arrays—Two Fluids) and applies these models to give a preliminary estimation of fission product behavior in the proposed VESIL design. A noble metal–helium bubble mass transfer model is coupled with the thermal-hydraulic results from CTF to determine the effectiveness of this insoluble fission product (IFP) extraction method for VESIL. Amounts of IFP species extracted to the off-gas system and species distributions in VESIL after a 60-day ATR cycle are reported.

With more natural gas hydrate samples recovered and more research approaches applied to hydrate-associated gas studies, data concerning the geochemical characteristics of hydrate-associated gases have been increased significantly in the past decades. Although systematic reviews of hydrocarbons are available, fewer studies have focused on the systematic classification of gas hydrates, yet. In this study, the primary origins and secondary processes that affect the geochemical characteristics of the gases are discussed. The primary origins are affected mainly by the type and /or maturity of the organic matter, which determine the main signature of the gas is microbial gas or thermogenic gas in a broad scheme. Apart from primary origins, secondary processes after gas generation such as migration, mixing, biodegradation and oxidation occur during the migration and/or storage of gases can significantly alter their primary features. Traditional methods such as stable isotope and molecular ratios are basic proxies, which have been widely adopted to identify these primary origins and secondary processes. Isotopic compositions of C2+ gases have been employed to identify the precursor of the gases or source rocks in recent years. Data from novel techniques such as methane clumped isotope and noble gases bring additional insights into the gas origins and sources by providing information about the formation temperature of methane or proxies of mantle contribution. A combination of these multiple geochemical approaches can help to elucidate an accurate delineation of the generation and accumulation processes of gases in a gas hydrate reservoir.

In this study, we employ strong field approximation (SFA) to investigate the influence of the number of pulse cycles on above-threshold ionization within the framework of nondipole theory. The SFA enables the analysis of the ionization process under the dominance of the electric field, compared to other factors such as the binding potential of an atom. Nondipole effects, including higher-order multipole fields, can significantly impact ionization dynamics. However, the interaction between nondipole effects and pulse cycles remains unclear. Therefore, we investigate the pulse cycle dependence of ionization and examine peak shifts in Kr and Ar atoms. Our findings have implications for comprehensively understanding the effects of electromagnetic fields on electron behavior. The insights gained from this study provide valuable guidance for future research in strong field ionization.

• High precision of e-CPA in predicting noble gas solubility in solutions. • Salting-out effect investigation of electrolytes on noble gas solubility in water. • Enhancing the model accuracy based on noble gas dissolution behavior. • Effective modeling tool for achieving sustainable water resource management. Dissolved noble gases in water hold significant potential as tracers and precursors in various hydrogeological and geological applications, particularly in understanding surface water-groundwater interactions. These applications necessitate precise solubility predictions. Employing the fugacity-fugacity approach, our study models the solubilities of Neon, Argon, Krypton, Xenon, and Radon in both pure water and electrolyte solutions. Leveraging the Cubic-Plus-Association Equation of State, we achieve remarkable accuracy, with average deviations below 2.5 % for vapor pressure, liquid, and vapor-phase densities. Additionally, in water–gas binary systems, deviations in gas solubilities within pure water remain under 5.0 %. Extending our analysis to water–gas-salt ternary systems, our model demonstrates deviations smaller than 5.6 %. Alongside discussing the gas dissolution mechanism, this work emphasizes the adaptability of the model, informed by robust experimental and modeling data. The interpretations derived from modeling hydrogeological conditions are poised to enhance our understanding of hydrological processes, thereby assisting planners and water managers in achieving sustainable development and management of water resources. [ABSTRACT FROM AUTHOR]

The analysis and measurement of Wigner time delays can provide detailed information about the electronic environment within and around atomic and molecular systems, with one the key differences being the lack of a long-range potential after a halogen ion undergoes photoionization. In this work, we use relativistic random-phase approximation to calculate the average Wigner delay from the highest occupied subshells of the atomic pairings (2p, 2s in Fluorine, Neon), (3p, 3s in Chlorine, Argon), (4p, 4s, 3d, in Bromine, Krypton), and (5p, 5s, 4d in Iodine, Xenon). The qualitative behaviors of the Wigner delays between the isoelectronic pairings were found to be similar in nature, with the only large differences occurring at photoelectron energies less than 20 eV and around Cooper minima. Interestingly, the relative shift in Wigner time delays between negatively charged halogens and noble gases decreases as atomic mass increases. All atomic pairings show large differences at low energies, with noble gas atoms showing large positive Wigner delays, while negatively charged halogen ions show negative delays. The implications for photoionization studies in halide-containing molecules is also discussed.

In this work, the adsorption behaviors of noble gases (He, Ne, Ar, Kr, and Xe) on hydrogenated group IV monolayers (silicene, germanene, and Si0.5Ge0.5 monolayer) were studied using first-principles calculations. The results show that all the noble gases are physisorbed on the hydrogenated monolayers via van der Waals interaction, and the adsorption energy increases with the size of the noble gas atoms owing to the increase in atomic polarizability. Further analysis shows that the interaction between the noble gases and the hydrogenated monolayers is strong enough and most of the adsorbed noble gases are stable at room temperature. Upon adsorption of the noble gases, hydrogenated germanene shows the most dramatic relative change in Fermi level among the hydrogenated group IV monolayers and is most suitable for noble gas sensors. Our results may be useful for the design, fabrication, and application of group IV monolayer-based noble gas absorbers and sensors. [ABSTRACT FROM AUTHOR]

We previously found that argon exerts its neuroprotective effect in part by inhibition of the toll-like receptors (TLR) 2 and 4. The downstream transcription factors signal transducer and activator of transcription 3 (STAT3) and nuclear factor kappa B (NF-κB) are also affected by argon and may play a role in neuroprotection. It also has been demonstrated that argon treatment could mitigate brain damage, reduce excessive microglial activation, and subsequently attenuate brain inflammation. Despite intensive research, the further exact mechanism remains unclear. In this study, human neuroblastoma cells were damaged in vitro with rotenone over a period of 4 hours (to mimic cerebral ischemia and reperfusion damage), followed by a 2-hour post-conditioning with argon (75%). In a separate in vivo experiment, retinal ischemia/reperfusion injury was induced in rats by increasing intraocular pressure for 1 hour. Upon reperfusion, argon was administered by inhalation for 2 hours. Argon reduced the binding of the transcription factors signal transducer and activator of transcription 3, nuclear factor kappa B, activator protein 1, and nuclear factor erythroid 2-related factor 2, which are involved in regulation of neuronal damage. Flow cytometry analysis showed that argon downregulated the Fas ligand. Some transcription factors were regulated by toll-like receptors; therefore, their effects could be eliminated, at least in part, by the TLR2 and TLR4 inhibitor oxidized phospholipid 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphorylcholine (OxPAPC). Argon treatment reduced microglial activation after retinal ischemia/reperfusion injury. Subsequent quantitative polymerase chain reaction analysis revealed a reduction in the pro-inflammatory cytokines interleukin (IL-1α), IL-1β, IL-6, tumor necrosis factor α, and inducible nitric oxide synthase. Our results suggest that argon reduced the extent of inflammation in retinal neurons after ischemia/reperfusion injury by suppression of transcription factors crucial for microglial activation. Argon has no known side effects or narcotic properties; therefore, therapeutic use of this noble gas appears ideal for treatment of patients with neuronal damage in retinal ischemia/reperfusion injury. The animal experiments were approved by the Commission for Animal Care of the University of Freiburg (approval No. 35-9185.81/G14-122) on October 19, 2012.

Abstract Brine samples from the wells in the Kashio mineral spring (an “Arima-type” hot spring at Ooshika-Mura, central Japan) were analyzed to determine the original chemical and isotopic compositions of the deep brine end-member before its dilution by meteoric water and to elucidate the origin of the end-member. The trends of variation between Cl, δD, and δ18O indicated the existence of a two-component mixing system and a systematic variation in the mixing ratio, which were mentioned in previous studies. By carefully tracking the variation in tritium (3H) and atmospheric noble gas in the brine, the Cl concentration in the end-member was determined to be 24,000 mg/L. This value is consistent with the result of previous studies. Based on the estimated composition and other related data, we inferred that the end-member originated from slab-derived fluid, which in turn may have undergone oxygen isotope exchange reactions with minerals. Although both the Arima and Kashio brines are considered to be derived from fluid dehydrated from the Philippine Sea slab, the chemical and isotopic compositions of the Kashio end-member are different from those of the Arima end-member. In particular, the Kashio end-member is characterized by low Cl concentration (~ 40% lower than that in the Arima end-member), low hydrogen isotope ratio, and low 3He/4He ratio (1.4 Ra). These results indicate that the chemical and isotopic compositions of the slab-derived fluid are different for each location. The significant difference in δD could reflect the difference in the dehydration depth. Finally, the low temperature and relatively low 3He/4He ratio of the brine end-member could be explained by its long residence time within the crust.

The Karamaili ophiolite belt is an important tectonic unit in the East Junggar terrane, Xinjiang, China, and provides a material basis for the study of subduction, accretion and collision processes, regional tectonic evolution, and the exploration of oil (gas) reservoirs in the western part of the Central Asian Orogenic Belt (CAOB). In the late Paleozoic, an important tectonic transition from subduction to post–collisional extension occurred in the East Junggar terrane; however, the precise timing of the tectonic transition is still a matter of debate. The volcanic rocks in the Karamaili area, predominately rhyolite and basalt–andesite, are typical post–collisional volcanic rocks and thus provide important constraints on the tectonic setting of the East Junggar. Here, zircon U–Pb geochronology and He–Ne–Ar and Sr–Nd–Pb isotopic analyses were carried out on volcanic rocks from three localities in the Karamaili area. Four zircon U–Pb ages indicate that magmatism occurred in the Carboniferous at 335–310 Ma, which is interpreted as the age of post–collisional extension events. The 4He–3He/4He isotopic ratios of these samples are similar to those of the continental crust and show a weak contribution of mantle He, indicating the presence of mantle He in the orogenic belt. The 20Ne/22Ne, 21Ne/22Ne, and R/Ra–40Ar/36Ar ratios show that the air-like Ne and Ar are derived from dissolved atmospheric and continental crust sources in the subducted supracrustal rocks. Meanwhile, relatively low 87Sr/86Sr ratios of andesite and basalt (0.704–0.707) and high εNd(t) values (4.73–7.22) reveal the presence of depleted mantle components in their source regions. The heterogeneous isotopic signatures of the volcanic rocks in the East Junggar indicate that they formed via different processes or in multiphase settings, suggesting a significant tectonic transition from an island arc setting to a post-collisional extension regime during the Carboniferous period.

In nuclear power plants, measures against radioactive noble gases are required. Until now, special activated carbon that easily adsorbs noble gases has been used in some nuclear facilities. However, activated carbon has a small adsorption capacity and is greatly affected by other gases and environmental humidity. Therefore, it is necessary to develop a new adsorbent with high adsorption performance. At emergency response stations, it is also necessary to take measures using air cylinders. It was confirmed that the newly developed silver zeolite XeA has more than 10 times adsorption efficiency of activated carbon for noble gas adsorption. In this paper, we will report on the basic noble gas adsorption performance of XeA and compare the adsorption performance between XeA and activated carbon. In addition, some applications of the noble gas adsorbent XeA are recommend, for example, (1) applied to noble gas countermeasures at emergency response stations, (2) applied to activated carbon noble gas hold-up systems, and (3) applied to emergency gas treatment systems (SGTS). Since silver zeolite XeA has excellent noble gas retention performance, it is possible to reduce the size and simplification of equipment by using it instead of the existing activated carbon. Furthermore, since XeA is nonflammable, it can be expected to improve safety.

This article provides a discussion on the nature of bonding between noble gases (Ng) and noble metals (M) from a quantum chemical perspective by investigating compounds such as NgMY (Y=CN, O, NO3, SO4, CO3), [NgM−(bipy)]+, NgMCCH, and MCCNgH complexes, where M=Cu, Ag, Au and Ng=Kr−Rn, with some complexes containing the lighter noble gas atoms as well. Despite having very low chemical reactivity, noble gases have been observed to form weak bonds with noble metals such as copper, gold, and silver. In this study, we explore the factors that contribute to this unusual bonding behavior, including the electronic structure of the atoms involved and the geometric configuration of the concerned fragments. We also investigate the metastable nature of the resulting complexes by studying the energetics of their possible dissociation and internal isomerization channels. The noble gas-binding ability of the bare metal cyanides are higher than most of their bromide counterparts, with CuCN and AgCN showing higher affinity than their chloride analogues as well. In contrast, the oxides seem to have lower binding power than their corresponding halides. In the oxide and the bipyridyl complexes, the Ng-binding ability follows the order Au > Cu > Ag. The dissociation energies calculated, considering the zero-point energy correction for possible dissociation channels, increase as we move down the noble gas group. The bond between the noble gases and the noble metals in the complexes are found to have comparable weightage of orbital and electrostatic interactions, suggestive of a partial covalent nature. The same is validated from the topological analysis of electron density.

The nature of inert gas bonding has always been an important topic. The bonds of noble gases cover the entire range of chemical bonds, from the weakest van der Waals forces, to non-covalent interactions, and to covalent bonds. Two types of methods were used to investigate the properties of chemical bonds in the inert gas inserted compound MNgBY with the transition metal M = Cu/Ag/Au and substituents Y = O/S/NH, one based on orbital analysis and the other based on electron density analysis. The NBO/NRT analysis shows that in these compounds there exists long-bonding striding the noble gas between the transitional metal and boron, similar to the noble gas insertion compounds HNgX of hydrohalide, and so a three-center four-electron bond exists among the M-Ng-B part. The electron density analyses show that the M-Ng bond between the metal Cu/Ag/Au and noble gas and the Ng-B bond in the Cu/Ag compounds are partial covalent but the Ng-B bond in Au compounds is a typical covalent bond. The large relativistic effects of Au cause the bonds in Au compounds shorter and stronger than the bonds in Ag/Cu compounds. The properties of the M-Ng and Ng-B bonds are not affected by substituents Y, but the bond lengths are sensitive to substituents. [ABSTRACT FROM AUTHOR]

Almost all experimental studies of the characteristics of nuclear-excited plasma formed by excitation of gaseous media with nuclear reactions products are conducted at pulsed nuclear reactors that differ in the composition and design of the core, the duration, flux and fluence of the neutron pulse, the impulse repetition frequency, the volume and configuration of the irradiation space. This paper presents a description of the experimental (methodical and hardware) base of the National Nuclear Center of RK (Kurchatov) to conduct experiments on studying the threshold characteristics of laser action at the p-s-transition of noble gas atoms upon 6Li(n,α)3H nuclear reaction products excitation in conditions of a pulsed nuclear IGR reactor. To conduct in-pile reactor experiments, a special experimental facility was developed and constructed. The experimental facility functionally includes: in-pile experimental device, a gas–vacuum system, information and measurement system consisting of a system for registering and controlling the temperature of the device housing, and a system for registering optical radiation. The paper also briefly describes the methodology of in-pile reactor experiments on the pulsed nuclear reactor.

A density functional theory study is performed to determine the stability and bonding in the neon dimer inside the B30N30 fullerene cage, the fluxional B40 cage, and within non-fluxional cages such as B12N12 and C60. The nature of bonding in the Ne2 encapsulated B40 is compared with the that in other cages in an attempt to determine whether any possible alterations are brought about by the dynamical nature of the host cage apart from the associated confinement effects. The bonding analysis includes the natural bond order (NBO), Bader’s Atoms-in-Molecules electron density analysis (AIM), and energy decomposition analysis (EDA), revealing the non-covalent nature of the interactions between the Ne atoms and that between the Ne and the cage atoms. The formation of all the Ne2@cage systems is thermochemically unfavourable, the least being that for the B30N30 cage, which can easily be made favourable at lower temperatures. The Ne-Ne distance is lowest in the smallest cage and increases as the cage size increase due to steric relaxation experienced by the dimer. The dynamical picture of the systems is investigated by performing ab initio molecular dynamics simulations using the atom-centred density matrix propagation (ADMP) technique, which shows the nature of the movement of the dimer inside the cages, and by the fact that since it moves as a single entity, a weak bonding force holds them together, apart from their proven kinetic stability.