Effect Of Cage Research Articles

Tailoring the Gating Effect of Organic Cage via a Porous Liquid Approach

AbstractPorous liquids (PLs) represent a new frontier in material design combining the merits of solid porous host and liquid phase in gas separation and catalysis. Herein, the PL construction approach is harnessed to tailor the gating effect of organic cages toward enhanced gas separation. A type‐II fluorinated PL (F‐PL) is developed via liquifying a fluorinated organic cage (F‐cage) by a fluorinated ionic liquid (F‐IL). The F‐cage is featured by a small window size (≈5.1 Å), high surface area, good stability under highly ionic conditions, and abundant fluorine moieties. The F‐IL possesses high steric hindrance (bulky cation) and structure similarity with the F‐cage (fluorinated alkyl chain in the anion). The existing status structure integrity of F‐cage in F‐IL upon F‐PL formation is illustrated via spectroscopy and X‐ray‐based techniques. The existence of rigid voids in F‐PL is illustrated by positron annihilation lifetime spectroscopy (PALS) and the improved gas uptake capacity than F‐IL via pressure‐swing CO2 uptake isotherms (0−40) bar. The comparison of the gas uptake behavior (CO2, N2, CH4, and Xe) of F‐PL and F‐cage, combining the computational simulation, highlights that the PL construction can be leveraged to tune the window size of porous scaffolds, leading to enhanced gas selectivity.

In-situ encapsulation synthesis of Fe-SAPO-34 for efficient removal of tetracycline via peroxydisulfate activation: Highly dispersed active sites and ultra-low iron leaching

The agglomeration and leaching of metal species are critical issues for iron-based catalysts to remove tetracycline (TC) through peroxydisulfate (PDS) activation. In this work, iron-oxide species confined in cha cage of silicon aluminum phosphate zeolite (Fe-SAPO-34) was successfully synthesized by in-situ encapsulation method to address the above challenges. In Fe-SAPO-34/PDS system, approximately 92.6% TC was removed within 150 min at experimental conditions: [pH] = 3, [TC] = 20 mg/L, [Catalyst] = 0.10 g/L, [PDS] = 1 mM. Meanwhile, the biggest degradation rate constant is 0.03689 min−1, which surpasses the counterpart systems. This result originates from the well dispersion of Fe-oxide species in Fe-SAPO-34, providing more active sites for TC degradation. As expected, the Fe-oxide species leaching concentration is ultra-low (0.018 mg/L) in Fe-SAPO-34/PDS system, which is attributed that SAPO-34 has a confinement effect of cha cage and eight-ring pore openings to limit its leaching. The radical quenching tests and electron paramagnetic resonance (EPR) technology verify singlet oxygen (1O2) is the primary reactive oxygen species (ROS) in Fe-SAPO-34/PDS system. Furthermore, two possible pathways for TC degradation are proposed in line with the intermediate identified by liquid chromatography-mass spectrometry (LC-MS).

Fe based MOF encapsulating triethylenediamine cobalt complex to prepare a FeN3-CoN3 dual-atom catalyst for efficient ORR in Zn-air batteries

Single-atom catalysts show good oxygen reduction reaction (ORR) performance in metal-air battery. However, the symmetric electron distribution results in discontented adsorption energy of ORR intermediates and a lower ORR activity. Herein, Fe-Co dual-atom catalyst with FeN3-CoN3 configuration was prepared by encapsulating nitrogen-rich ion (triethylenediamine cobalt complex, [Co(en)3]3+) in Fe based MOF cage to greatly enhance ORR performance. Due to the confinement effect of the MOF cage, the encapsulated [Co(en)3]3+ is closer to Fe of MOF, thus easily generating FeN3-CoN3 sites. The FeN3-CoN3 sites can break the symmetric electron distribution of single-atom sites, optimizing adsorption energy of oxygen intermediate. Thus, FeCo-NC exhibits extraordinary ORR activity with a high half-wave potential of 0.915 V and 0.789 V in alkaline and acidic electrolyte, respectively, while it was 0.874 V and 0.79 V for Pt/C. The liquid and solid Zn-air batteries with FeCo-NC as cathode show higher peak power density and specific capacity. DFT results indicate that FeN3-CoN3 site can reduce the reaction energy barrier of the rate-determining step resulting in an excellent ORR performance.

Effects of Breeding Systems on Hen Egg Weight: A Meta-Analysis

In the egg production industry, egg weight is a critical parameter influencing economic viability. The objective of the present study was to determine the effect of cage, free-range, and deep litter breeding systems on hen egg weight using meta-analysis. Articles were searched using Google Scholar, PubMed, ScienceDirect, and Web of Science yielding 175 articles of which 22 articles were included in the present study. Methodological quality was assessed using Joanna Briggs Institute guidelines. A model was used to determine the effect of breeding systems on average hen egg weight. Meta-regression analysis was used to examine the effect of the following moderators, publication year, region, chicken age, and breed. The Cochran’s Q test and I2 statistic were performed for h heterogeneity across used studies. According to the obtained results, there was no significant difference between cage and free-range on average hen egg weight (standardized mean difference (SMD) = 0.08, I2 = 89%, 95%CI 0.19-0.34). The free-range breeding system had heavier hen egg weight than deep litter (SMD = 0.54, I2 = 88%, 95%CI 0.01-0.08). The findings also revealed that deep litter and free range had no significant difference in average hen egg weight (SMD = -0.05, I2 = 87%, 95%CI -0.28-0.17). Meta-regression findings showed that the origin of the used articles, the age of the chickens, and the chicken breed were observed as the main reasons for heterogeneity. This meta-analysis revealed that a free-range breeding system increased the average hen egg weight.

The postoperative clinical effects of utilizing 3D printed (Ti6Al4V) interbody fusion cages in posterior lumbar fusion: A retrospective cohort study.

The research focused on the postoperative effect of using interbody fusion cage in lumbar posterior lamina decompression and interbody fusion with pedicle screw by comparing the postoperative effect of using 3D printing (Ti6Al4V) and PEEK material interbody fusion cage. Ninety-one patients with lumbar degenerative diseases from the Department of Spine Surgery of Tianjin Hospital were included in the study cohort. They were divided into 3D group (n = 39) and PEEK group (n = 52) according to the use of interbody fusion cage. The imaging data of the patients were collected and the postoperative data of the 2 groups were compared to evaluate patients' health status and the recovery of lumbar structure and function after operation. Combined with the degree of fusion, the clinical effect of 3D printing titanium alloy interbody fusion cage was comprehensively judged. At the last follow-up, the JOA score, ODI index, VAS, prolo function score, and SF-36 scale of the 2 groups showed that the clinical symptoms were better than those before operation (P < .05). The height of intervertebral disc, the area of intervertebral foramen and the physiological curvature of lumbar vertebrae increased in varying degrees after operation (P < .05). At the last follow-up, the vertebral cage fusion rates were as high as 89.13% and 90.91% in the 3D and PEEK groups, with collapse rates of 6.5% and 4.5%, respectively. There were 10 cases of cage displacement in 3D group and 7 cases of cage displacement in PEEK group. There was no significant difference between the 2 groups (P > .05). In conclusion, 3D printed (Ti6Al4V) interbody fusion cage can obtain good clinical effect in the surgical treatment of lumbar degenerative diseases. Posterior lumbar lamina decompression, bilateral pedicle screw fixation combined with 3D printed cage interbody fusion is excellent in rebuilding the stability of lumbar vertebrae. 3D printed interbody fusion cage can be an ideal substitute material for intervertebral bone grafting. The stable fusion time of interbody fusion cage after lumbar fusion is mostly from 3 months to half a year after operation.

Effect of cage and ladder configuration of polyphenyl silsesquioxane on mechanical performance and flame retardancy of ethylene–vinyl acetate composites

Improving the flame retardancy of ethylene–vinyl acetate copolymer (EVA) while maintaining its mechanical properties is critical for EVA applications. Polyhedral oligomeric silsesquioxane (POSS) can be a molecular structure designed to improve the flame retardancy of polymers while minimizing damage to the mechanical properties of polymers. In this study, two types of POSS with the same chemical structure but different spatial structures, which are named cage octaphenyl POSS (OPS) and ladder polyphenyl silsesquioxane (PPSQ) are prepared. The miscibility and dispersibility of these two types of POSS in the EVA matrix and their effects on mechanical properties, dielectric properties, and fire behaviors are also investigated. Compared to OPS-based EVA composite, the PPSQ with ladder structure has good miscibility and dispersion state in EVA matrix, obtaining better toughness, dielectric properties, and flame retardancy under cone calorimeter test. However, OPS-based EVA composite obtains superior flame retardancy than that of PPSQ-based EVA composite under small fire test (limiting oxygen index and UL-94 vertical burning tests). The mechanism of these two separate flame-retardant performances under various scenarios is explored. A novel flame-retardant model is proposed, as well as a new understanding of the role of POSS in EVA combustion. This study provides powerful guidance for obtaining EVA composites with excellent flame retardant and mechanical properties.

The influence of epigenetic biological age on key complications and outcomes in aneurysmal subarachnoid haemorrhage

BackgroundWe aimed to investigate the association between DNA-methylation biological age (B-age) calculated as age acceleration (ageAcc) and key aneurysmal subarachnoid haemorrhage (aSAH) complications such as vasospasm, delayed cerebral ischaemia (DCI),...

Assessment of Lightning Current Injection Tests in Replicating the In-flight Current Distribution on Aircraft

Lightning is one of the natural threats to an aircraft. Laboratory tests are usually limited to aircraft component levels and scaled prototypes. For small aircraft, sometimes the whole aircraft could be subjected to the lightning current specified in the relevant standards. Lightning current injection tests are carried out with standard components A to D. This is in anticipation of producing expected levels of fields and current values during a lightning strike. However, generating a current waveform with a rise time and magnitude the same as component A is very difficult in practice. Further, standards specify a return conductor (RC) arrangement for testing. Fields generated due to RC current can affect the current and field distribution. Hence, the emulated current and field in such tests could differ from that in an actual strike. The present work evaluates the current distribution for different lightning current waveforms suggested in standards and that realised in the laboratory. Also, the effect of the return cage on the current/field distribution is studied. The current and voltage distribution on aircraft skin is obtained by employing the impedance network method. A discretised model of Standard Dynamics Model (SDM) aircraft is employed for the present study. It is found that the surface current distribution on aircraft during a laboratory test can differ from that during the actual strike. Owing to the inductance of the aircraft, the rise time of the lightning current realised in the laboratory could be slow compared to that specified in standards; hence, it could also affect the current distribution on aircraft. This work is intended to provide insight into the inherent limitations of laboratory-level testing, which could be helpful for designers.

Expandable cages that expand both height and lordosis provide improved immediate effect on sagittal alignment and short-term clinical outcomes following minimally invasive transforaminal lumbar interbody fusion (MIS TLIF).

Failure to restore lordotic alignment is not an uncommon problem following minimally invasive transforaminal lumbar interbody fusion (MIS TLIF), even with expandable cages that increase disc height. This study aims to investigate the effect of the expandable cage that is specifically designed to expand both height and lordosis. We evaluated the outcomes of MIS TLIF in restoring immediate postoperative sagittal alignment by comparing two different types of expandable cages. One cage is designed to solely increase disc height (Group H), while the other can expand both height and lordosis (Group HL). Patients undergoing MIS TLIF using expandable cages were retrospectively reviewed, including 40 cases in Group H and 109 cases in Group HL. Visual analog scores of back and leg pain, and Oswestry disability index were collected. Disc height, disc angle, and sagittal alignment were measured. Complications were recorded, including early subsidence which was evaluated with computed tomography. Clinical and radiographic outcomes significantly improved in both groups postoperatively. Group HL showed superior improvement in segmental lordosis (4.4°±3.5° vs. 2.1°±4.8°, P=0.01) and disc angle (6.3°±3.8 vs. 2.2°±4.3°, P<0.001) compared to Group H. Overall incidence of early subsidence was 23.3%, predominantly observed during initial cases as part of the learning curve, but decreased to 18% after completion of the first 20 cases. Expandable cages with a design specifically aimed at increasing lordotic angle can provide favorable outcomes and effectively improve immediate sagittal alignment following MIS TLIF, compared to conventional cages that only increase in height. However, regardless of the type of expandable cage used, it is crucial to avoid applying excessive force to achieve greater disc height or lordosis, as this may contribute to subsidence and a possible reduction in lordotic alignment restoration. Long-term results are needed to evaluate the clinical outcome, fusion rate, and maintenance of the sagittal alignment.

Dynamical Origin of Rebound versus Dissociation Selectivity during Fe-Oxo-Mediated C-H Functionalization Reactions.

The mechanism of catalytic C-H functionalization of alkanes by Fe-oxo complexes is often suggested to involve a hydrogen atom transfer (HAT) step with the formation of a radical-pair intermediate followed by diverging pathways for radical rebound, dissociation, or desaturation. Recently, we showed that in some Fe-oxo reactions, the radical pair is a nonstatistical-type intermediate and dynamic effects control rebound versus dissociation pathway selectivity. However, the effect of the solvent cage on the stability and lifetime of the radical-pair intermediate has never been analyzed. Moreover, because of the extreme complexity of motion that occurs during dynamics trajectories, the underlying physical origin of pathway selectivity has not yet been determined. For the reaction between [(TQA_Cl)FeIVO]+ and cyclohexane, here, we report explicit solvent trajectories and machine learning analysis on transition-state sampled features (e.g., vibrational, velocity, and geometric) that identified the transferring hydrogen atom kinetic energy as the most important factor controlling rebound versus nonrebound dynamics trajectories, which provides an explanation for our previously proposed dynamic matching effect in fast rebound trajectories that bypass the radical-pair intermediate. Manual control of the reaction trajectories confirmed the importance of this feature and provides a mechanism to enhance or diminish selectivity for the rebound pathway. This led to a general catalyst design principle and proof-of-principle catalyst design that showcases how to control rebound versus dissociation reaction pathway selectivity.

Effect of Cage and Floor Housing Systems on Muscle Fiber Characteristics, Carcass Characteristics, and Meat Quality of Slow-Growing Meat-Type Chickens

This study compared floor (FS) with cage systems (CS) for slow-growing meat-type chickens in terms of muscle fiber characteristics, carcass characteristics, and meat quality. Following the design of a factorial arrangement of 2 housing systems × 2 genders, 180 male and 180 female Beijing You chickens of 8 weeks old were allocated to FS and CS. At the end of 17 weeks, five males and five females from each replicate were selected for measurement. No difference was observed in body, carcass, or eviscerated weight (p &gt; 0.05). FS birds showed higher muscle yield and lower abdominal fat composition (p &lt; 0.05). Inosine-5′-monophosphate (IMP) content was not affected by housing system or gender (p &gt; 0.05). On the contrary, intramuscular fat (IMF) content was affected by both in a way that CS birds and females had higher IMF content (p &lt; 0.05). FS birds had a higher percentage of white muscle fibers (p &lt; 0.05). In conclusion, carcass characteristics, meat quality, and muscle fiber type of slowing-growing broilers are influenced: rearing on the floor may improve muscle development and reduce fat deposition without impairing marketing weight and rearing in cages may improve IMF content.

Effect of cage on ball bearing torque

Effect of cage on ball bearing torque

Epigenetic Clock Explains White Matter Hyperintensity Burden Irrespective of Chronological Age.

In this manuscript we studied the relationship between WMH and biological age (B-age) in patients with acute stroke. We included in this study 247 patients with acute stroke recruited at Hospital del Mar having both epigenetic (DNA methylation) and magnetic resonance imaging data. WMH were measured using a semi-automated method. B-age was calculated using two widely used methods: the Hannum and Horvath formulas. We used multiple linear regression models to interrogate the role of B-age on WMH volume after adjusting for chronological age (C-age) and other covariables. Average C-age of the sample was 68.4 (±11.8) and we observed a relatively high median WMH volume (median = 8.8 cm3, Q1-Q3 = 4.05-18.8). After adjusting for potential confounders, we observed a significant effect of B-ageHannum on WMH volume (βHannum = 0.023, p-value = 0.029) independently of C-age, which remained significant (βC-age = 0.021, p-value = 0.036). Finally, we performed a mediation analysis, which allowed us to discover that 42.7% of the effect of C-age on WMH is mediated by B-ageHannum. On the other hand, B-ageHoarvath showed no significant associations with WMH after being adjusted for C-age. In conclusion, we show for the first time that biological age, measured through DNA methylation, contributes substantially to explain WMH volumetric burden irrespective of chronological age.

How substituents at boron atoms affect the CH-acidity and the electron-withdrawing effect of the ortho-carborane cage: A close look on the 1H NMR spectra

Based on the data of 1H NMR spectra, the effect of various substituents at boron atoms in different positions of the ortho-carborane cage on its CH-acidity and the electron-withdrawing effect upon substitution at the carbon atom is considered. The introduction of chlorine atoms to the boron atoms opposite to the carbon atoms (positions 9 and 12) slightly reduces the CH-acidity of the carborane cage, whereas the introduction of bromine and, especially, iodine atoms lead to the significant increase in the CH-acidity in comparison with the parent ortho-carborane. The introduction of halogen atoms to the boron atoms bound to both carbon atoms (positions 3 and 6) results in a significant increase in the CH-acidity and this increase is practically independent on the halogen electronegativity. Nevertheless, in the case of polychlorinated derivatives of ortho-carborane, the total effect of the substituent completely covers the decrease in CH-acidity when the first halogen atoms are introduced into positions 9 and 12. The introduction of alkyl substituents, regardless of the substitution position, leads to a decrease in the CH-acidity of the ortho-carborane cage, while the introduction of aryl substituents has the opposite effect.

Endplate volumetric bone mineral density biomechanically matched interbody cage.

Disc degenerative problems affect the aging population, globally, and interbody fusion is a crucial surgical treatment. The interbody cage is the critical implant in interbody fusion surgery; however, its subsidence risk becomes a remarkable clinical complication. Cage subsidence is caused due to a mismatch of material properties between the bone and implant, specifically, the higher elastic modulus of the cage relative to that of the spinal segments, inducing subsidence. Our recent observation has demonstrated that endplate volumetric bone mineral density (EP-vBMD) measured through the greatest cortex-occupied 1.25-mm height region of interest, using automatic phantomless quantitative computed tomography scanning, could be an independent cage subsidence predictor and a tool for cage selection instruction. Porous design on the metallic cage is a trend in interbody fusion devices as it provides a solution to the subsidence problem. Moreover, the superior osseointegration effect of the metallic cage, like the titanium alloy cage, is retained. Patient-specific customization of porous metallic cages based on the greatest subsidence-related EP-vBMD may be a good modification for the cage design as it can achieve biomechanical matching with the contacting bone tissue. We proposed a novel perspective on porous metallic cages by customizing the elastic modulus of porous metallic cages by modifying its porosity according to endplate elastic modulus calculated from EP-vBMD. A three-grade porosity customization strategy was introduced, and direct porosity-modulus customization was also available depending on the patient's or doctor's discretion.

Zinc-Air Battery-Assisted Self-Powered PEC Sensors for Sensitive Assay of PTP1B Activity Based on Perovskite Quantum Dots Encapsulated in Vinyl-Functionalized Covalent Organic Frameworks.

The self-powered sensors have attracted widespread attention in the analysis field due to a huge demand of point-of-care testing (POCT) in the early diagnosis of diseases. However, the output voltage of the reported self-powered sensors is always small, resulting in a narrow linear detection range and low assay sensitivity. Herein, a self-powered photoelectrochemical (PEC) sensor with zinc-air batteries as a power source was developed for activity assay of protein tyrosine phosphatase 1B (PTP1B) based on perovskite quantum dots encapsulated in the vinyl-functionalized covalent organic framework (COF-V). CsPbBr3 nanocrystals were stabilized by the confinement effect of the COF-V cage without aggregation, and the resulting CsPbBr3@COF-V composite was used as the cathodic photoelectric material to construct the zinc-air battery with a large open-circuit voltage (OCV, 1.556 V). Before PTP1B activity assay, an auxiliary peptide-polyamidoamine-phosphopeptide (P2-PAMAM-P1) hybrid was introduced into the photocathode via thiol-ene click reaction between the thiol group on the P1 and the vinyl group on the COF-V. The steric hindrance effect of the P1-PAMAM-P2 hybrid inhibited the PEC performance of the photocathode, resulting in a small OCV of the zinc-air battery. When the PTP1B existed, PTP1B-catalyzed dephosphorylation of tyrosine on P1 facilitated the cleavage process of P1 by chymotrypsin, leading to the removal of the P2-PAMAM-P1 hybrid from the photocathode and consequently the enhancement of the OCV. Therefore, the activity of PTP1B was sensitively detected. The developed self-powered PEC sensor showed superior performance for PTP1B activity assay (broad linear response range, 0.1 pM to 10 nM and low detection limit, 0.032 pM) due to the large output voltage of the constructed zinc-air battery and has great potential in POCT of protein phosphatase-related diseases and the discovery of protein phosphatase-targeted drugs.

The role of controlled human-animal interactions in changing the negative perceptions towards white sharks, in a sample of White Shark cage diving tours participants

Quantifying the effect of human-wildlife interactions, and particularly those where negative perceptions exist, can have a benefit towards the conservation of species. The negative perceptions surrounding human-shark interactions can be put forward as a case in point. In this work, we use six relevant statements questions to test human perceptions before and after controlled human interactions with the white shark, Carcharodon carcharias. Questions were adapted from Kellert's typology of human attitudes towards animals. A total of 322 tourists participating in white shark cage diving tours in Gansbaai, South Africa were exposed to two surveys (pre and post-experience) to assess whether a shift in perception can happen. We focused the work on measuring the effect of the shark cage diving tourism activities to change negative perceptions towards white sharks in people who dare to cage diving with sharks. To determine the underlying structure of the statements involved in shark perception, exploratory factor analyses were performed. Two attitudes, Dominionistic and Ecologistic-Scientific explained 52.8% of the variance. In addition, analyses of differences between pre and post-surveys in participants of White Shark cage diving tours indicated a positive change in perception towards white sharks after the activity. No age, gender, or transcultural differences were found, and possible psychological and political approaches were addressed. Controlled human-shark interaction can aid in a positive shift of the attitudes towards this animal, which can have significant potential implications. Ultimately, exposure to sharks could be a valuable tool for promoting public attitudes, especially when paired with the correct interpretation of shark behavior and its impact on the ecosystem.

Effect of Cage and Floor Rearing System on the Reproductive Performance and Immunocystochemistry of Pituitary Cells of Broiler Breeders

Effect of Cage and Floor Rearing System on the Reproductive Performance and Immunocystochemistry of Pituitary Cells of Broiler Breeders

Microclimate of grass canopies and biomass accumulation are influenced by the use of caged exclosures in grazing research.

Exclosure cages are often used for estimating biomass accumulation on continuously stocked pastures in grazing experiments. The microclimate inside the cages may affect the estimates of biomass accumulation, but this has not been previously identified or quantified. We evaluated how the exclusion from grazing for 21days in Mulato II brachiariagrass (Brachiaria brizantha × Brachiaria decumbens × Brachiaria ruziziensis) pastures affected canopy air temperature (T) and relative humidity (RH) and how this related to biomass accumulation. We also evaluated the effect of the exclosure cage on wind speed (WS) and incoming solar radiation (SR), and how these impacted evapotranspiration (ET) and estimates of biomass accumulation on grazed canopies maintained at 20- and 30-cm height under continuous stocking. Regardless of canopy height, changes in canopy structure during the exclusion period up to 21days did not affect T and RH (averages of 24.3°C and 88.7%, respectively), indicating that the air circulation was not affected by the exclusion. The cage structure reduced SR by 5%, although there were times during clear days when SR was slightly greater inside the cage than outside. The cage also reduced WS by 4.4%. Smaller SR and WS resulted in less ET inside the cages than outside, although with close values (2.9 vs. 3.0mmday-1; P = 0.0494). The biomass accumulation rate was greater inside than outside the cages for both canopy heights. This overestimation would be 5.8 and 9.7% greater if the structure of the cage did not reduce the SR, WS, and ET.

Hydroxyl bond activation of formic acid by Metal-ligand cooperation of new designed aluminum ligated pincer fullerenes

• New designed aluminum ligated NNN pincer fullerene. • Aluminum-ligand cooperation ►►OH bond cleavage HCOOH. • H 2 elimination ►►protonation of imine carbon atom. • The aluminum complex with three HCOO►► active catalyst. • Catalytic cycle►► β-hydride elimination to dissociate CO 2 . The two parts of the formic acid dehydrogenation reaction including catalyst activation and catalytic cycle with a new designed aluminum ligated NNN pincer fullerene as catalyst in which Al(III)–bis(imino)pyridyl pincer are located on the (6, 6) ring fusion bond of C 60 fullerene was investigated with density functional calculations. Aluminum-ligand cooperation enables O H bond cleavage of formic acid in the HCOOH-assisted H 2 elimination pathway with protonation of imine carbon atom. The aluminum complex with three HCOO – units (complex 8 ) forms the active catalyst of HCOOH dehydrogenation. The existences of hydrogen bonds in the studied molecules were confirmed by NBO and AIM analyses. In the catalytic cycle, β-hydride elimination from 8 to dissociate CO 2 and formation of Al–H complex promote HCOOH dehydrogenation to generate H 2 . The β-hydride elimination is the rate-determining step with an overall barrier of +17.8 kcalmol −1 . The effect of fullerene cage on the catalytic cycle of HCOOH dehydrogenation is explored by elimination of fullerene cage from the Al(III)– bis(imino)pyridyl pincer fullerene.