A rotational spectroscopy study of microsolvation effects on intramolecular proton transfer in trifluoroacetylacetone-(H2O)1-3.

Trifluoroacetylacetone (TFAA) has two enol forms, which can switch to each other via proton transfer. While much attention has been paid to their conformational preferences, the influence of microsolvation on regulating the proton position remains unexplored. Herein, we report the rotational spectra of trifluoroacetylacetone-(water)n (n = 1-3) investigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency range. Two conformers were identified for both TFAA-H2O and TFAA-(H2O)2, while only one conformer was characterized for TFAA-(H2O)3. The results indicate that water binding on the CH3 side stabilizes the enolF form, whereas water binding on the CF3 side stabilizes the enolH form. The enolF form predominates over the enolH form in these hydrated complexes, which contrasts with the fact that only enolH exists in isolated TFAA. EnolH becomes preferred only when water inserts itself into the intramolecular hydrogen bond. Instanton theory calculations reveal that the proton transfer reaction is dominated by quantum tunneling at low temperatures, leading to the stable existence of only one enol form in each configuration of the hydrated clusters.

PDMS diaphragm based miniature fiber-optic Fabry-Perot dynamic pressure sensor for turbomachinery application.

Small-sized, highly sensitive dynamic pressure sensors are crucial in the field of turbomachinery application. In this paper, a fiber-tip structure dynamic pressure sensor utilizing a small piece of glass tube as the air cavity and PDMS material as the diaphragm was fabricated. It has the advantage of being small in size with the diameter of 125 µm while having high sensitivity of 26.26 pm/kPa. The fabrication process was described in detail, which is simple and cost-effective. The sensor characteristics were studied theoretically and experimentally. Quasi-square pressure signal of different frequencies generated by the siren disk were measured by the sensor and compared with that obtained from the commercial piezoresistive pressure sensor to verify the accuracy of the proposed sensor. The R2 of the four pairs of pressure waveforms were 0.94, 0.81, 0.93, and 0.96, respectively. Stability testing of the sensor was also performed, showing that the sensor can work reliably under dynamic pressure environment.

Adipokine vaspin maintains angiogenesis and neurological function during cerebral ischemia-reperfusion via suppressing endoplasmic reticulum stress.

INTRODUCTION: Visceral adipose tissue-derived serine protease inhibitor (vaspin) is an adipokine. It has been reported that decreased serum vaspin levels are significantly associated with stroke severity and prognosis. PURPOSE: This article aims to explore the theoretical feasibility of vaspin supplementation for cerebral ischemia-reperfusion (I/R) injury. METHODS: The I/R mouse models were constructed by the middle cerebral artery occlusion (MCAO) method, and the effects of vaspin on cerebral infarction, neurological function, angiogenesis and endoplasmic reticulum (ER) stress were explored. To verify the mediation of ER stress in the regulation of vaspin, human brain microvascular endothelial cells (HBMECs) were subjected to ER stress agonist tunicamycin in vitro. The impacts of vaspin and tunicamycin on oxygen glucose deprivation/ recovery (OGD/R)-induced cell viability, apoptosis, and angiogenesis were examined. RESULTS: Vaspin inhibited blood-brain barrier breakdown and infarction occurred in the brain tissue of the I/R mice. Vaspin also enhanced cerebral neovascularization and reduced the apoptosis. Additional tunicamycin increased the apoptosis of HBMECs and inhibited angiogenesis, reversing the protective effect of vaspin on cells. CONCLUSION: Together, this study reveals that vaspin supplementation reduces cerebral infarction and works against neurological dysfunction. It maintains the survival and angiogenesis capacity of HBMECs by inhibiting ER stress.

Ion imprinted differential modulation system based on enhanced optic-fiber evanescent wave for sensitive and label-free detection of trace nickel ions.

An optical system with low cost monitoring, high sensitivity, strong selectivity and much lower nickel ion (Ni2+) content in tap water than the World Health Organization (WHO) standard (1.19 µM) has been prepared by a simple strategy. This proposed ion-imprinted differential modulation system is based on the Bragg grating (FBG) and microfiber interferometer structure, and the interferometer sensing surface is coated with a polydopamine (PDA)/graphene oxide (GO) film to enhance its sensitivity. Combined with the ion imprinting technique, the microfiber interferometer sensor sensitivity can reach 0.32 nm/nM with the detection limit of 0.66 nM in the low concentration range (Ni2+ concentration range is 0 nM-100 nM). The experiment not only studies the principle of microfiber interferometer and FBG and their refractive index and temperature performance, but also shows that the FBG power change has a good fitting relationship with wavelength change. In addition, this system performance by the amount of power difference rather than the amount of wavelength shift, which significantly saves on the high cost weight, and size associated with the use of spectral analyzers in traditional inspection systems. This study provides a novel and easy method to develop new sensors with higher comprehensive performance.

Diagnosing and tracking depression based on eye movement in response to virtual reality.

Introduction: Depression is a prevalent mental illness that is primarily diagnosed using psychological and behavioral assessments. However, these assessments lack objective and quantitative indices, making rapid and objective detection challenging. In this study, we propose a novel method for depression detection based on eye movement data captured in response to virtual reality (VR). Methods: Eye movement data was collected and used to establish high-performance classification and prediction models. Four machine learning algorithms, namely eXtreme Gradient Boosting (XGBoost), multilayer perceptron (MLP), Support Vector Machine (SVM), and Random Forest, were employed. The models were evaluated using five-fold cross-validation, and performance metrics including accuracy, precision, recall, area under the curve (AUC), and F1-score were assessed. The predicted error for the Patient Health Questionnaire-9 (PHQ-9) score was also determined. Results: The XGBoost model achieved a mean accuracy of 76%, precision of 94%, recall of 73%, and AUC of 82%, with an F1-score of 78%. The MLP model achieved a classification accuracy of 86%, precision of 96%, recall of 91%, and AUC of 86%, with an F1-score of 92%. The predicted error for the PHQ-9 score ranged from -0.6 to 0.6.To investigate the role of computerized cognitive behavioral therapy (CCBT) in treating depression, participants were divided into intervention and control groups. The intervention group received CCBT, while the control group received no treatment. After five CCBT sessions, significant changes were observed in the eye movement indices of fixation and saccade, as well as in the PHQ-9 scores. These two indices played significant roles in the predictive model, indicating their potential as biomarkers for detecting depression symptoms. Discussion: The results suggest that eye movement indices obtained using a VR eye tracker can serve as useful biomarkers for detecting depression symptoms. Specifically, the fixation and saccade indices showed promise in predicting depression. Furthermore, CCBT demonstrated effectiveness in treating depression, as evidenced by the observed changes in eye movement indices and PHQ-9 scores. In conclusion, this study presents a novel approach for depression detection using eye movement data captured in VR. The findings highlight the potential of eye movement indices as biomarkers and underscore the effectiveness of CCBT in treating depression.

Spectroscopic Study of [Mg, H, N, C, O] Species: Implications for the Astrochemical Magnesium Chemistry.

Magnesium is an abundant metal element in space, and magnesium chemistry has vital importance in the evolution of interstellar medium (ISM) and circumstellar regions, such as the asymptotic giant branch star IRC+10216 where a variety of Mg compounds bearing H, C, N, and O have been detected and proposed as the important components in the gas-phase molecular clouds and solid-state dust grains. Herein, we report the formation and infrared spectroscopic characterization of the Mg-bearing molecules HMg, [Mg, N, C], [Mg, H, N, C], [Mg, N, C, O], and [Mg, H, N, C, O] from the reactions of Mg/Mg+ and the prebiotic isocyanic acid (HNCO) in the solid neon matrix. Based on their thermal diffusion and photochemical behavior, a complex reactivity landscape involving association, decomposition, and isomerization reactions of these Mg-bearing molecules is developed, which can not only help understand the chemical processes of the magnesium (iso)cyanides in astrochemistry but also provide implications on the presence of magnesium (iso)cyanates in the ISM and the chemical model for the dust grain surface reactions. It also provides a new paradigm of the key intermediate nature of the cationic complexes in the formation of neutral interstellar species.

Intestinal Microbiota Modulates the Antitumor Effect of Oncolytic Virus Vaccines in Colorectal Cancer.

BACKGROUND: Immunotherapies, such as oncolytic viruses, have become powerful cancer treatments, but only some patients with cancer can benefit from them, especially those with advanced-stage cancer, and new therapeutic strategies are needed to facilitate extended survival. The intestinal microbiota may contribute to colorectal cancer (CRC) carcinogenesis and the response to immunotherapy. However, whether and how the intestinal microbiota modulates the effects of oncolytic virus vaccines (OVVs) in CRC remain to be investigated. METHODS: We generated an MC38-gp33 CRC mouse model and treated it with OVV-gp33 in early and advanced stages. Probiotics, fecal microbiota transplantation (FMT), and antibiotics (ABX) were administered to regulate the microbial composition of CRC mice at an advanced stage. The tumor growth rate and survival time of the mice were recorded; 16S rDNA sequencing was used to analyze the microbial composition and flow cytometry was used to detect T-cell subset activity. RESULTS: OVV-gp33 treatment inhibited tumor growth and prolonged survival in the early stage of CRC but did not have a significant effect on the advanced stage of CRC. Moreover, 16S rDNA sequence analysis and flow cytometry showed significant differences in intestinal microbiota composition, microbial metabolites, and T-cell subsets in early and advanced-stage CRC. Probiotic and FMT treatment significantly enhanced the antitumor effect of OVV in the advanced stage of CRC with an increased abundance of activated CD8+ T cells and a decreased ratio of Treg cells, while depletion of the microbiota by ABX eliminated the antitumor activity of OVV with decreased CD8+ T-cell activation and upregulated Treg cells. CONCLUSIONS: These results indicate that the intestinal microbiota and microbial metabolites play an important role in the antitumor effect of OVV in CRC. Furthermore, altering the intestinal microbiota composition can modulate the antitumor and immunomodulatory effects of OVV in CRC.

Infrared Spectroscopy of [M(CO2)n]+ (M = Ca, Sr, and Ba; n = 1-4) in the Gas Phase: Solvation-Induced Electron Transfer and Activation of CO2.

Cationic complexes of heavy alkaline earth metal and carbon dioxide [M(CO2)n]+ (M = Ca, Sr, and Ba) are produced by a laser vaporization-supersonic expansion ion source in the gas phase and are studied by infrared photodissociation spectroscopy in conjunction with quantum chemistry calculations. For the n = 1 complexes, the metal-ligand binding arises primarily from the electrostatic interaction with the CO2 ligand bound to the metal (+I) center in an end-on η1-O fashion. The more highly coordinated complexes [M(CO2)n]+ with n ≥ 2 are characterized to involve a [M2+(CO2-)] core ion with the CO2- ligand bound to the metal (+II) center in a bidentate η2-O, O manner. The activation of CO2 in forming a bent CO2- moiety occurs via solvation-induced metal cation-ligand electron transfer reactions. Bonding analyses reveal that the attractive forces between M2+ and CO2- in the core cation come mainly from electrostatic attraction, but the contribution of covalent orbital interactions should not be underestimated. The atomic orbitals of metal dications that are engaged in the orbital interactions are ns and (n - 1)d orbitals.

Interpretable CNN-Multilevel Attention Transformer for Rapid Recognition of Pneumonia From Chest X-Ray Images.

Chest imaging plays an essential role in diagnosing and predicting patients with COVID-19 with evidence of worsening respiratory status. Many deep learning-based approaches for pneumonia recognition have been developed to enable computer-aided diagnosis. However, the long training and inference time makes them inflexible, and the lack of interpretability reduces their credibility in clinical medical practice. This paper aims to develop a pneumonia recognition framework with interpretability, which can understand the complex relationship between lung features and related diseases in chest X-ray (CXR) images to provide high-speed analytics support for medical practice. To reduce the computational complexity to accelerate the recognition process, a novel multi-level self-attention mechanism within Transformer has been proposed to accelerate convergence and emphasize the task-related feature regions. Moreover, a practical CXR image data augmentation has been adopted to address the scarcity of medical image data problems to boost the model's performance. The effectiveness of the proposed method has been demonstrated on the classic COVID-19 recognition task using the widespread pneumonia CXR image dataset. In addition, abundant ablation experiments validate the effectiveness and necessity of all of the components of the proposed method.

Unveiling the Role of Water on π-π Stacking Through Microwave Spectroscopy of (Thiophene)2-(Water)1-2 Clusters.

There has been an ongoing debate about whether water enhances or hinders π-π stacking, a phenomenon crucial in various biological and chemical systems. In this study, the influence of water on π-π stacking is investigated by microwave spectroscopic observation of gas-phase hydrated clusters of thiophene dimers. Two isomers of (C4H4S)2-H2O and two isomers of (C4H4S)2-(H2O)2 have been unambiguously identified. These identifications are supported by quantum chemistry calculations and isotopic measurements. In each of these conformations, water molecules are situated between aromatic pairs, forming distinctive interactions. Water molecules engage with thiophene molecules either as hydrogen bond donors through OH···π interactions or as hydrogen bond acceptors through CH···O interactions. The energy decomposition analysis indicates that the bonding pattern of water molecules significantly affects the π···π interactions between aromatic rings. These findings offer valuable structural insights into the role of water in shaping π-π stacking.

An all-fiber system biosensor for trace ß-lactam antibiotics detection enhanced by functionalized microfiber and fiber bragg grating.

An all-fiber-optic system for rapid detection of antibiotic concentration, based on an optical enzyme biosensor with microfiber interferometer (MFI) and fiber gratings (FBGs) power variation, is proposed and experimentally validated. During the experiment, ß-lactamase(ß-LS) is fixed on the polyaniline (PANI)-coated optical fiber by cross-linking through glutaraldehyde (GA) covalent bonding. ß-LS can hydrolyze ß-lactam antibiotics to generate acidic by-products that transform polyaniline from the form of the emerald base to emerald salt, which results in the surface refractive index (RI) variation of MFI, to convert MFI wavelength and FBGs power macroscopic change for feedbackingly detecting the concentration of ß-lactam antibiotics. The detection of amoxicillin (AMX) in deionized water at concentrations in the range of 0.01-100 nM resulted in a wavelength change sensitivity of 0.6 nm/nM, and FBGs power difference change sensitivity of 1.3 dB/nM, with a detection limit LOD = 0.04 nM in real food and urine samples. The sensing system by the same calibration technique can detect antibiotic concentrations in different substances (tap water, milk and artificial urine). This developed all-fiber-optic system can be used as a rapid solution for the measurement of ß-lactam antibiotic residues in food and the environment.

Observation of inserted oxocarbonyl species in the tantalum cation-mediated activation of carbon dioxide dictated by two-state reactivity.

Reductive activation of carbon dioxide (CO2) has drawn increasing attention as an effective and convenient method to unlock this stable molecule, especially via transition metal-catalyzed reactions. Taking the [TaC4O8]+ ion-molecule complex formed in the laser ablation source as a representative, the reactivity of the tantalum metal cation towards CO2 molecules is explored using infrared photodissociation spectroscopy combined with quantum chemical calculations. The strong absorption in the carbonyl stretching region provides solid evidence for the insertion reactions into CO bonds by the tantalum cation. Two inserted oxocarbonyl products are identified based on the great agreement between the experimental results and simulated infrared spectra of energetically low-lying structures in the singlet and triplet states. The pivotal role of two-state reactivity in driving CO2 activation among three different spin states is rationalized by potential energy surface analysis. Our conclusion provides valuable insight into the intrinsic mechanisms of CO2 activation by the tantalum metal cation, highlighting the affinity of tantalum for CO bond insertion in addition to typical "end-on" binding configurations.

Assessing airborne transmission risks in COVID-19 hospitals by systematically monitoring SARS-CoV-2 in the air.

IMPORTANCE: Risk management and control of airborne transmission in hospitals is crucial in response to a respiratory virus pandemic. However, the formulation of these infection control measures is often based on epidemiological investigations, which are an indirect way of analyzing the transmission route of viruses. This can lead to careless omissions in infection prevention and control or excessively restrictive measures that increase the burden on healthcare workers. The study provides a starting point for standardizing transmission risk management in designated hospitals by systemically monitoring viruses in the air of typical spaces in COVID-19 hospitals. The negative results of 359 air samples in the clean and emergency zones demonstrated the existing measures to interrupt airborne transmission in a designated COVID-19 hospital. Some positive cases in the corridor of the contaminant zone during rounds and meal delivery highlighted the importance of monitoring airborne viruses for interrupting nosocomial infection.

Indoor feeding combined with restricted grazing time improves body health, slaughter performance, and meat quality in Huang-huai sheep.

OBJECTIVE: The aim of this study was to evaluate the effects of three feeding systems, i.e., indoor feeding (CON), indoor feeding with 4-h daily access to grazing artificial pasture (ITGP), and indoor feeding with 8-h daily access to grazing artificial pasture (IEGP), on the plasma antioxidant and immunological capacity, slaughter characteristics, meat quality and economic efficiency of Huang-huai lambs. METHODS: Thirty-three healthy Huang-huai rams with similar body weight (approximately 5 mo of age, 28.96±1.01 kg) were assigned equally to three experimental groups. When finished fattening, six lambs from each group were collect blood samples for plasma analyses and then slaughtered to determine slaughter characteristics and obtain biceps brachii muscle for further analysis of meat quality and fatty acid profile. RESULTS: Compared to CON group, animals submitted to ITGP and IEGP groups resulted in greater contents of serum glutathione peroxidase, immunoglobulins (IgA, IgG, and IgM), polyunsaturated fatty acids (PUFA), n-6 PUFA, and PUFA/saturated fatty acid (FA) ratio and lower palmitic /oleic acid ratio (p<0.05). Moreover, animals in ITGP group exhibited a higher (p<0.05) loin eye area, content of meat crude protein (CP), and eicosetrienoic acid compared to CON group, while slaughter performance was superior (p<0.05) to that of the IEGP group. The economic efficiency of ITGP group was 70.12% higher than that of CON group, while the IEGP group exhibited a decrease of 92.54% in economic efficiency compared to the CON group. CONCLUSION: Restricted grazing time combined with indoor feeding was more effective in conferring superior body health, carcass traits and economic efficiency in Huang-huai lambs, as well as higher CP content and healthier FA composition in the resulting meat.

Novel dual: rod plate system for EOS improves vertebral wedging and permits spinal growth.

BACKGROUND: To determine whether single-stage, growth-friendly instrumentation with a plate-rod spinal system (PRSS) can substantially correct the deformity of EOS at surgery and continue to rectify the deformity throughout the growth period. METHODS: An observational study of 35 children with EOS treated by PRSS between February 2000 and October 2010 during a mean follow-up of 72 months. The mean age at surgery was 7 years. X-rays were taken preoperatively and postoperatively and at each follow-up. The Cobb angle, the apical vertebral wedge angle (AVWA), remaining rod lengths, maximal thoracic kyphosis and total T1-S1 heights were measured and compared. RESULTS: Thirty-one patients, 9 boys and 22 girls, with a mean age of 7 years were completed follow-up. The Cobb angle changed from 64° to 36° after initial surgery and 26° at the last follow-up. The mean AVWA was 15° postoperatively and 5° at the last follow-up. The mean rod tail reserve length decreased from 53 mm immediately after surgery to 12 mm at the last follow-up. The mean preoperative maximum thoracic kyphosis was 41° and changed to 35° and 30° postoperatively and at latest follow-up, respectively. The mean preoperative T1-S1 height for all 32 patients was 52 mm acute lengthening and 122 mm of lengthening by the end of follow-up, respectively. CONCLUSION: The PRSS provided immediate correction of most of the deformity at surgery and continued to rectify remaining scoliosis during the growth period. AVWA may be a useful method for monitoring the function of the PRSS in EOS.

A nonenzymic microfiber optic-biosensor modified phenylboric acid for sensitively and specifically detecting low glucose concentration.

A microfiber interferometer coated with sensitive films formed by amide bond between 3-Carboxy-4-fluorophenylboronic acid (FPBA) and polydopamine (PDA) for the detection of trace glucose concentration is designed and demonstrated. Due to a huge evanescent field, this microfiber interferometer has a very sensitive response to the refractive index (RI) of the surrounding environment, which has excellent sensing performance including RI sensitivity response of 1825.83 nm/RIU and low temperature response of -0.04 nm/°C. Due to the good film-forming performance of PDA, whose the amino group coupled with the carboxyl molecule on FPBA to form an amide bond, PDA/FPBA can be attached to the microfiber interferometer for detecting different concentrations of glucose. The concentration range of glucose detection is 0.1-20 mM with a sensitivity of 1.71 nm/mM and a limit of detection of 12.6 ppm. Finally, the sensor is tested in actual samples of human urine to detect different concentrations of glucose and proved to be responsive and reproducible in urine. We can estimate the concentration of glucose in urine by wavelength shift. The sensor has the advantages of simple manufacture, low cost, high sensitivity, and specific recognition glucose in urine. In addition, the success of this sensor shows that the combination of ultrafine fiber and organic chemical materials has broad prospects in the field of optical detection.

Synthesis of Axially Chiral QUINAP Derivatives by Ketone-Catalyzed Enantioselective Oxidation.

QUINAPs have emerged as a pivotal class of axially chiral compounds with remarkable features in the stereoinduction of diverse enantioselective transformations. However, the confined substrate range and extravagant price still pose challenges, limiting their broader utilization. Herein, we describe the first atroposelective oxidation of an N atom using a chiral ketone catalyst, allowing the kinetic resolution of QUINAPOs to give both the unreacted substrates and their corresponding N-oxides with excellent enantioselectivity. Importantly, the enantioenriched products can be readily converted into the QUINAP targets without any loss of stereochemical integrity. Mechanistic investigations indicate that a dioxirane, generated through the oxidation of the ketone with oxone, acts as the active catalytic species. Furthermore, we have successfully extended this catalytic system to the kinetic resolution of QUINOLs and the dynamic kinetic transformation of pyridine analogues of QUINAPO possessing a labile stereogenic axis. The practicality of the developed protocol is further demonstrated by the successful application of QUINAPO N-oxide as a Lewis base catalyst in a series of enantioselective transformations.

A display and analysis platform for gut microbiomes of minority people and phenotypic data in China.

The minority people panmicrobial community database (MPPCD website: http://mppmcdb.cloudna.cn/ ) is the first microbe-disease association database of Chinese ethnic minorities. To research the relationships between intestinal microbes and diseases/health in the ethnic minorities, we collected the microbes of the Han people for comparison. Based on the data, such as age, among the different ethnic groups of the different regions of Sichuan Province, MPPCD not only provided the gut microbial composition but also presented the relative abundance value at the phylum, class, order, family and genus levels in different groups. In addition, differential analysis was performed in different microbes in the two different groups, which contributed to exploring the difference in intestinal microbe structures between the two groups. Meanwhile, a series of related factors, including age, sex, body mass index, ethnicity, physical condition, and living altitude, were included in the MPPCD, with special focus on living altitude. To date, this is the first intestinal microbe database to introduce altitude features. In conclusion, we hope that MPPCD will serve as a fundamental research support for the relationship between human gut microbes and host health and disease, especially in ethnic minorities.

Alterations in Resting-State Interhemispheric Coordination With Refractory Auditory Verbal Hallucinations in Schizophrenia.

OBJECTIVE: The purpose of this study was to investigate resting-state interhemispheric functional connectivity in patients with schizophrenia and refractory auditory verbal hallucinations (RAVHs) by using voxel-mirrored homotopic connectivity (VMHC). METHODS: Thirty-four patients with schizophrenia and RAVHs (RAVH group), 23 patients with schizophrenia but no auditory verbal hallucinations (non-AVH group), and 28 matched healthy volunteers (healthy control group) were recruited in China. VMHC analyses were used to identify brain areas with significant differences in functional connectivity among the three groups, and correlations between symptom scores and neurological measures were examined. RESULTS: VMHC analyses showed aberrant bilateral connectivity between several homotopic brain regions: the RAVH and non-AVH groups showed differences in bilateral connectivity of the superior and middle temporal gyri, and the RAVH and healthy control groups showed differences in bilateral connectivity of the gyrus rectus, inferior frontal gyrus, and putamen. In addition, interhemispheric connectivity of the superior and middle temporal gyri correlated with patients' positive symptom scores. CONCLUSIONS: These findings may help to elucidate the pathophysiological mechanisms underlying auditory verbal hallucinations. The results revealed interhemispheric functional dysconnectivity among patients with schizophrenia and suggest that the dysconnectivity of homotopic brain regions may play an important role in the development of auditory verbal hallucinations.

Rotational Spectroscopy Probes Lone Pair···π-Hole Interactions in Hexafluorobenzene-Tertiary Alkylamines Complexes.

We employed microwave spectroscopy to investigate the 1:1 complexes of hexafluorobenzene with trimethylamine and quinuclidine, respectively. These complexes exhibit a C3v symmetry and are stabilized by nitrogen lone pair···π-hole interactions along the C3 axes. The N···π-center distances were determined to be 3.110(1) and 3.040(2) Å, respectively, which are shorter than that of hexafluorobenzene-ammonia at 3.2685(3) Å. Additionally, the strength of the intermolecular interaction increases with cluster size. While it was initially expected that the electron-donating effect of alkyl groups was responsible for changing the N···π interaction, the symmetry-adapted perturbation theory analysis revealed that, from hexafluorobenzene-ammonia to both hexafluorobenzene-alkylamines, electrostatic interaction actually decreases while dispersion interaction increases and becomes dominant. Interestingly, dispersion interaction decreases while electrostatic interaction increases from C6F6-N(CH3)3 to C6F6-NC7H13. The splitting pattern of the spectra indicates hexafluorobenzene rotates freely relative to its partners along the axis of the N···π-hole interactions.