Characteristic Aroma Compounds Research Articles

Volatile flavor characteristics of scallops (Chlamys farreri) with different drying methods were analyzed based on GC-IMS and GC-O-QTOF

To investigate the effects of different drying methods on the flavor of scallops, headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with gas chromatography-olfactometry-quadrupole time-of-flight (GC-O-QTOF) was used to analyze the flavor of scallops processed by five drying methods. A total of 62 volatile organic compounds (VOCs) were identified by GC-IMS. 27 characteristic aroma compounds were identified by GC-O-QTOF, and the highest content was trimethylamine. 17 aroma compounds with GC-O ≥ 6 were screened by the time-intensity method, and the maximum aroma intensity value of 2-acetyl-1-pyrroline was 9.9 aroma compounds with relative odor activity value (ROAV) ≥ 1 were identified. Using GC-O ≥ 6 and ROAV ≥1 as the criteria, 6 differential aroma compounds were further screened, and the results proved that naturally dried scallops had a heavier fishy odor. These findings will provide deeper insights into the processing of scallops.

Impact of Mild Field Drought on the Aroma Profile and Metabolic Pathways of Fresh Tea (Camellia sinensis) Leaves Using HS-GC-IMS and HS-SPME-GC-MS.

Aroma plays a pivotal role in defining tea quality and distinctiveness, and tea producers have often observed that specific drought conditions are closely associated with the formation and accumulation of characteristic aroma compounds in tea leaves. However, there is still limited understanding of the differential strategies employed by various tea cultivars in response to drought stress for the accumulation of key volatile aroma compounds in fresh tea leaves, as well as the associated metabolic pathways involved in aroma formation. In this study, two widely cultivated tea cultivars in China, Fuding Dabai (FD) and Wuniuzao (WNZ), were examined to assess the impact of mild field drought stress on the composition and accumulation of key volatile aroma compounds in fresh leaves using headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) and headspace solid phase micro-extraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) technologies. Results revealed that drought stress led to a substantial increase in the diversity of volatile compounds (VOCs) in FD, while WNZ exhibited a notable rise in low-threshold VOC concentrations, amplifying sweet, floral, fruity, and earthy aroma profiles in post-drought fresh leaves. Through partial least squares discriminant analysis (PLS-DA) of HS-GC-IMS and HS-SPME-GC-MS data, integrating variable importance projection (VIP) scores and odor activity values (OAVs) above 1, 9, and 13, key odor-active compounds were identified as potential markers distinguishing the drought responses in the two cultivars. These compounds serve as crucial indicators of the aromatic profile shifts induced by drought, providing insights into the differential metabolic strategies of the cultivars. Additionally, KEGG enrichment analysis revealed 12 metabolic pathways, such as terpenoid biosynthesis, fatty acid synthesis, cutin, suberine, and wax biosynthesis, and phenylalanine metabolism, which may play crucial roles in the formation and accumulation of VOCs in tea leaves under drought stress. These findings provide a comprehensive framework for understanding the cultivar-specific mechanisms of aroma formation and accumulation in tea leaves under mild drought conditions.

Multi-response kinetic modelling of the formation of five Strecker aldehydes during kilning of barley malt

Control of aroma formation during production of barley malt is critical to provide consistent and high-quality products for the brewing industry. Malt quality can be affected by the inherent variability of raw material and processing conditions, leading to inconsistent and/or undesirable profiles. Dried green malts were cured isothermally at 65, 78 and 90 °C for 8.4 h, and characteristic aroma compounds (Strecker aldehydes), precursors and intermediate compounds were analysed over time. By kinetic modelling of Strecker aldehydes, based on fundamental chemical pathways, we showed that degradation of Amadori rearrangement products and short-chain dicarbonyls was more sensitive to temperature change due to their higher activation energies compared to other kinetic steps. This study can help maltsters to manipulate formation of Strecker aldehydes, via raw material screening and process control, and hence optimise the organoleptic quality of malts and their products, such as non-alcoholic beers, where these aldehydes play a key role.

Characterization of volatile profiles and markers prediction of eleven popular edible boletes using SDE-GC–MS and FT-NIR combined with chemometric analysis

Wild edible boletes mushrooms are regarded as a delicacy in many countries and regions due to their rich nutritional contents and strong aromatic compounds. This study aimed to identify 445 samples of 11 boletes species collected from Yunnan and Sichuan provinces through molecular analysis. Using simultaneous distillation–extraction (SDE) combined with gas chromatography-mass spectrometry (GC–MS), 97 volatile compounds were identified. Chemometric methods were then applied to analyze the heterogeneity of these volatile compounds among the different species. The results showed that, 22 and 21 volatile compounds were selected using variable importance in projection (VIP > 1) and relative odor activity values (ROAV > 0.1), respectively. Partial least squares discrimnatint analysis (PLS-DA) was then employed to develop pattern recognition models for 11 species, which demonstrated strong identification performance. Furthermore, correlation heat maps, volcano plots, and Fisher linear discriminant analysis identified five volatile organic compounds, including methyl (9E)-9-octadecenoate, 2, 6-dimethylpyrazine, 1-decen-3-one, furfural, and methional as markers for distinguishing 11 boletes species. Ultimately, the rapid content prediction models of partial least squares regression (PLSR) were established by combining Fourier Transform Near-Infrared Spectroscopy (FT-NIR) with the concentrations of these five marker compounds. These findings provide a methodological strategy for the effective species identification of wild edible mushrooms and the rapid prediction of their characteristic aroma compounds.

Optimization of fermentation conditions and analysis of the changes in flavor compounds for lemon vinegar

The flavor composition is an important index to evaluate the quality of fruit vinegar, including volatile and non-volatile components. The flavor quality of fruit vinegar is related to fermentation technology. This study analyzed the acetic acid fermentation conditions and the changes in the flavor composition of lemon vinegar. After optimization, the pH, alcohol content, and inoculum were 3.0, 6%, and 10%. The statistical analysis showed significant changes in flavor components during the whole fermentation. After acetic acid fermentation, the highest organic acid changed from citric acid to acetic acid. The content of amino acids showed a decreasing trend, mainly used for the growth and metabolism of microorganisms and the precursor of aroma compounds. Terpenoids were the main aroma compounds before the fermentation, while the main aroma compounds were esters after the fermentation. Linalool, the characteristic aroma compound in lemon, was well preserved. Isoamyl acetate was the main aroma compound during the fermentation. Almost all the flavor compounds had significant changes during the lemon vinegar fermentation. This study helps to understand the changes in flavor compounds during lemon vinegar brewing and lays the foundation for further improving the quality of lemon vinegar.

Mechanism of the interaction between olfactory receptors and characteristic aroma compounds in sweet orange juice

The aroma compounds of three varieties of orange juice were extracted using solvent-assisted flavor evaporation (SAFE) and stir bar sorptive extraction (SBSE). A total of 41 aroma compounds were identified by gas chromatography-olfactometry (GC-O), among which 10 aroma compounds had an aroma intensity (AI) > 4.5. There were 53 aroma compounds identified by gas chromatography-mass spectrometry (GC-MS), 29 of which had an odor activity value (OAV) higher than 1. The findings indicated that (+)-limonene, linalool, hexanal, citral and myrcene were closely associated with the five characteristic aromas of orange juice. Furthermore, molecular docking was used to analyze the binding energies and interactions between these compounds and olfactory receptors (OR1A1, OR1D2, OR2W1, OR5AC2, OR1A2, and OR5M3). The average binding energies for these compounds at the six receptors were −6.2 kcal/mol, −6.0 kcal/mol, −5.8 kcal/mol, −5.1 kcal/mol, −6.3 kcal/mol and −4.7 kcal/mol, respectively. Hydrophobic interaction was a significant driving force in this process. Key residues such as Leu199 (OR1D2), Ala108 (OR1A2), Gly108 (OR2W1), Pro181 (OR5M3), Tyr261 (OR5AC2), and Val203 (OR1A1) played key roles in binding with characteristic aroma compounds. The formation mechanism of orange juice aroma was revealed, which provides theoretical guidance for the regulation of sweet orange aroma and flavor.

Effects of Different Fermentation Methods on Flavor Quality of Liupao Tea Using GC-Q-TOF-MS and Electronic Nose Analyses.

To further develop Liupao tea products and enhance their flavor, this study investigated the effects of different fermentation methods on the aroma quality of Liupao tea. The aroma quality of Liupao tea was comprehensively analyzed using HS-SPME in combination with GC-Q-TOF-MS, electronic nose, and sensory evaluations. Electronic nose detection showed that the aroma fingerprints of Liupao tea samples with different fermentation methods were different. Sulfides, alcohols, ketones, and methyls were the main aroma categories affecting the aroma of the four groups of Liupao tea samples. GC-Q-TOF-MS analysis revealed significant differences in the composition of aroma components among the four fermentation methods of Liupao tea (p < 0.05). Furthermore, the total amount of aroma compounds was found to be highest in the group subjected to hot fermentation combined with the inoculation of Monascus purpureus (DMl group). Based on the OPLS-DA model, candidate differential aroma components with VIP > 1 were identified, and characteristic aroma compounds were selected based on OAV > 10. The key characteristic aroma compounds shared by the four groups of samples were 1,2,3-Trimethoxybenzene with a stale aroma and nonanal with floral and fruity aromas. The best sensory evaluation results were obtained for the DMl group, and its key characteristic aroma compounds mainly included 1,2,3-Trimethoxybenzene, nonanal, and cedrol. The results of this study can guide the development of Liupao tea products and process optimization.

Identification of characteristic compounds of sweet orange oil and their sweetening effects on the sucrose solution with sweetness meter, sensory analysis, electronic tongue, and molecular dynamics simulation

The characteristic aroma compounds of five-fold sweet orange oil were analyzed using gas chromatography–mass spectrometry combined with the odor aroma value (OAV) method. The results indicated that limonene, linalool, dodecanol, (E,E)-2,4-decadienal, (E)-citral, linalool, (E)-2-decenal, and geraniol are important contributors. The sweetening effects of key compounds on sucrose solutions were experimentally investigated. The results showed that the sweetness effects of five compounds (limonene, citronellal, geraniol, β-sinensal and β-caryophyllene) were better than those of (E)-citral, linalool and octanal. Molecular dynamics implied that the hydrogen bonding residues of the T1R2/T1R3-sucrose system were converted from LYS65, GLU302, ASP278, and SER144 to ASP278, SER144, ASP142, and ASP213 after the addition of limonene. Meanwhile, the hydrophobic interaction forces of the system are significantly enhanced. The total energy of the T1R2/T1R3-sucrose system decreased from −32.08 kcal/mol to −63.57 kcal/mol. The synergistic sweetening mechanism of characteristic aroma compounds of sweet orange oil on sucrose was revealed.

Differences in volatile composition and expression of genes involved in terpenoids biosynthesis in Chrysanthemum indicum var. aromaticum

Chrysanthemum indicum var. aromaticum is an important ornamental plant in the genus Chrysanthemum, known for its unique and intense aroma. However, little is known about the composition of aroma components and their molecular regulatory mechanisms, which limits the development and utilization of Ci. var. aromaticum. In this study, headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O) were used to analyze the aroma components of different organs (stem, leaf, and flower in different stages) of Ci. var. aromaticum. Meanwhile, the relative expression levels of key genes of terpenoid metabolism in different organs were determined by real-time quantitative PCR (qRT-PCR). Results showed that, a total of 128 volatiles were detected in 5 organs of Ci. var. aromaticum with more than 88.99% of terpenoids proportion, and 38 of the 128 were characteristic aroma compounds. Among the characteristic aroma compounds, 13 of them, including β-eudesmol, β-caryophyllene, zingiberene, α-bergamotene, α-curcumene, germacrene D, δ-cadinene, γ-terpinene, β-bisabolene, α-cubebene, aromandendrene, alloaromadendrene, and eucalyptol, formed the main aroma of Ci. var. aromaticum, and it was suggested that β-caryophyllene, zingiberene, eucalyptol, β-eudesmol, β-pinene, α-muurolene, and isocaryophyllene were responsible for the difference in aroma between the different organs of Ci. var. aromaticum. Combined with metabolomics, it was inferred that terpenoids such as β-eudesmol, cis-sabinol, α-thujone, α-thujene, etc. were involved in mevalonate (MVA) pathway; β-phellandrene, α-copaene, etc. were involved in methylerythritol phosphate (MEP) pathway. This study provided some theoretical guidance for further exploration of the aroma mechanism of Ci. var. aromaticum, which was helpful to the fully development and utilization of Ci. var. aromaticum resources.

Characteristic volatile compounds contributed to aroma of braised pork and their precursor sources

The characteristic aroma compounds of traditional braised pork were investigated by gas chromatography–mass spectrometry−olfactometry (GC–MS–O), odor-activity values, and aroma recombination and omission experiments. A total of 56 volatile compounds were detected by GC–MS, among which hexanal, octanal, nonanal, (E)-2-octenal, 2,3-octanedione, 1-octen-3-ol, 2-pentylfuran, methanethiol, and dimethyl trisulfide were identified as the key aroma compounds by molecular sensory science. Partial least squares regression analysis indicated that some aroma compounds significantly contributed to fatty (hexanal, heptanal, 2-pentylfuran, nonanal, and (E)-2-octenal), meaty (methanethiol, dimethyl disulfide, dimethyl trisulfide, and octanal), sauce-like flavor (3-hydroxy-2-butanone and 2-furfural), and sweet, caramel (2,3-octanedione, 1-octen-3-ol). Lean meat produced more aldehydes, alcohols, ketones, and sulfur-containing compounds than subcutaneous fat. The seasonings (saccharose, cooking wine, and soy sauce) facilitated the formation of ethyl L-lactate, 2-acetylfuran, 2-furfural, 5-methyl-2-furaldehyde, 2-methyl-pyrazine, and 2-acetylpyrrole. Meanwhile they reduced the content of lipid oxidation products, thereby stimulated the characteristic aroma of the Chinese traditional braised pork.

Characteristic aroma compounds during the fermentation of Chinese steamed bread fermented with different starters

The characteristic aroma compounds of Chinese steamed bread (CSB) fermented with different starters were studied using HS-SPME-GC/MS, aroma recombination and omission experiments. The dynamic changes of the microbiota and their function and metabolites during fermentation were analyzed using metagenomics and non-targeted metabolomics. Forty-nine volatile flavor compounds were identified, while 5 characteristic aroma-active compounds were investigated in CSB fermented with commercial dry yeast (AQ-CSB), and 10 were investigated in CSB fermented with traditional starter (NY-CSB). Microbial structure and function analysis showed that Saccharomyces cerevisiae dominated during AQ-CSB fermentation and contributed >95% to its KEGG pathways, while Pediococcus pentosaceus, unclassified Pediococcus, Lactobacillus plantarum, Lactobacillus brevis and unclassified Lactobacillus were predominant in NY-CSB and together had an ~96% contribution to these pathways. NY-CSB showed higher metabolic activity during fermentation, and the characteristic metabolites were mainly involved in carbohydrate, amino acid and lipid metabolism. The characteristic aroma compounds were identified and increased the understanding of the contributions of the microbiota. This may be useful for designing starter cultures that produce CSB with desirable aroma properties.

Effects of Pelletized and Coated Organic Fertilizers on Flavor Compounds of Tomato Fruits and Leaves.

The application of organic fertilizers is one of the most important agricultural measures aimed at improving the flavor and productivity of Lycopersicon esculentum, with the granulation and coating of organic fertilizers, which can reduce seepage losses of great significance to the ecosystem. In this study, Jingcai 8 tomato was selected as the test material. Headspace solid-phase microextraction and gas chromatography-mass spectrometry (HS-SPME-GC-MS) methods were used to investigate the effects of different pelletized organic fertilizers and various coating materials on the flavor profile of the tomatoes. The results indicated that 67 volatile organic compounds (VOCs) were identified in the tomato fruits and 62 volatile compounds were identified in the leaves under different fertilizer treatments. The volatile compound content of the fruits in the BP treatment group was 35.38 μg/g, which was higher than that in other treatment groups, and the volatile compound content of the leaves was lower. A differential compound analysis with log2|fold change| ≥ 1 and variable important in projection (VIP) > 1 highlighted styrene, 3-methyl-1-butanol, and (E, E)-2,4-hexadienal as the major up-regulated compounds and methyl salicylate as the major down-regulated compound in the tomato fruit BCK (control) vs. BP. Moreover, the α-phellandrene content decreased in the tomato leaves. In addition, an analysis of the tomato fruit differential compounds and compounds with odor activity values (OAV) of ≥ 1, considering the OAV values of characteristic aroma compounds, identified key compounds affecting the flavor of the tomato fruits under the BP treatment. These included 2-nonenal, (E)-2-pentylfuran, trans-β-ionone, 1-penten-3-one, (E, E)-2,4-hexadienal, and 3-hexenol (fruity, floral, and herbaceous odors), (E, E)-2,4-heptadienal (fatty odor), and hexanal (green odor). The combined results analysis of the volatile compound content, differential compounds, and OAV values of characteristic aroma compounds aimed to clarify that the BP treatment group, which applied pelletized, large-grain organic fertilizer with polyurethane (pozzolanic + small-grain oil-coated + 2% paraffinic + 4% polyurethane) as a coating material, proved to be most effective in influencing the flavor of the tomato fruits. This finding lays the foundation for its potential commercial application in artificial orchards.

Dynamic changes and the effects of key procedures on the characteristic aroma compounds of Lu’an Guapian green tea during the manufacturing process

As a kind of green tea with unique multiple baking processes, the flavor code of Lu’an Guapian (LAGP) has recently been revealed. To improve and stabilize the quality of LAGP, further insight into the dynamic changes in odorants during the whole processing is required. In this study, 50 odorants were identified in processing tea leaves, 14 of which were selected for absolute quantification to profile the effect of processes. The results showed that spreading is crucial for key aroma generation and accumulation, while these odorants undergo significant changes at the deep baking stage. By adjusting the conditions of the spreading and deep baking, it was found that low-temperature (4 °C) spreading for 6 h and low-temperature with long-time baking (final leaf temperature: 102 °C, 45 min) could improve the overall aroma quality. These results provide a new direction for enhancing the quality of LAGP green tea.

Difference comparison of characteristic aroma compounds between braised pork cooked by traditional open-fire and induction cooker and the potential formation cause under electromagnetic cooking

The characteristic aroma compounds of braised pork were identified through molecular sensory science and PLSR analysis, and the difference between two cooking methods, traditional open-fire (BPF) and induction cooker (BPC), was compared. Seventeen aroma compounds with odor activity values (OAVs) > 1 were identified in both samples. BPF revealed higher OAVs for most of the aroma compounds compared to BPC, and the higher aroma quality. Aroma recombination and omission experiments confirmed that twelve aroma compounds significantly contributed to the characteristic aroma of braised pork, and eight compounds such as hexanal, (E)-2-octenal, and methanethiol were further confirmed as important contributors by PLSR analysis. Furthermore, PLSR analysis clarified the role of aldehydes such as hexanal, (E)-2-octenal, and (E,E)-2,4-decadienal in contributing to fatty attribute, whereas methanethiol was responsible for the meaty aroma. These characteristic aroma compounds mainly derived from lean meat due to its high content of phospholipids, and the exogenous seasonings contributed to the balanced characteristic aroma profile of braised pork by altering the distribution of these characteristic aroma compounds. Variations in heating parameters affected the formation of lipid oxidation and Strecker degradation products, which might explain aroma discrepancy between braised pork cooked by two methods with different heat transfer efficiencies.

Encapsulation of roast beef flavor by soy protein isolate/chitosan complex Pickering emulsions to improve its releasing properties during the processing of plant-based meat analogues

During the production of plant-based meat analogues (PBMA), a significant loss of flavor characteristic compounds in meat-flavor essences could be observed. Pickering emulsion-based encapsulation is an effective method to improve their stability. Therefore, a soy protein isolate (SPI)/chitosan (CS) complex Pickering emulsion was fabricated to encapsulate roast beef flavor (RBF) and further applied in the processing of PBMA. Our results indicated that the network structure of emulsions was dominated by elasticity, while hydrogen and covalent bonding interactions played important roles in the encapsulation process. The release rate of flavor compounds gradually increased with the increase of pH value, glutamine transaminase, NaCl content, heating temperature or heating time, while encapsulation significantly reduced the loss of characteristic aroma compounds. In addition, the releasing characteristics of aroma compounds and textural properties of PBMA were greatly improved by treating with RBF-loaded emulsions. Consequently, the emulsions were promising to improve the flavor quality of PBMA.

Characterization of the effect of different cooking methods on volatile compounds in fish cakes using a combination of GC–MS and GC-IMS

In this study, gas chromatography-mass spectrometry (GC–MS) and gas chromatography-ion mobility spectrometry (GC-IMS) were used to analyze the volatiles of fish cakes obtained using five cooking methods, namely, steaming, baking, air frying, pan frying and deep frying. The odor activity value (OAV) and relative odor activity value (ROAV) were used to screen for the major aroma compounds. Orthogonal partial least squares discriminant analysis (OPLS-DA) and the variable influence on projection (VIP) were used to determine the characteristic flavor compounds in the fish cakes. A total of 72 volatile compounds were identified by GC–MS, and 41 volatile compounds were detected by GC-IMS. 3-ethyl-2,5-dimethylpyrazine and 2,5-dimethylpyrazine were not detected in either CK or SS. The OPLS-DA models for GC–MS and GC-IMS analyses were constructed based on VIP values, and 8 and 7 compounds, respectively, were screened as characteristic aroma compounds. The results of this study provide new insights into the dynamics of flavor formation in reheated fish cakes and provide a theoretical basis for the optimization of the production process of this food product.

Insight into the dynamic change of flavor profiles and their correlation with microbial community succession and lipid oxidation during the processing of dry-cured duck

Microbial community and lipid oxidation play an important role in flavor development of dry-cured duck. To explore the dynamic changes in microbial community succession, oxidative properties and flavor profiles during the processing of dry-cured duck and the relationships between them, the samples were analyzed by high-throughput sequencing, peroxide values, electronic nose and gas chromatography-mass spectrometry, and their relationships were established by multivariate statistical analysis. The results showed that the changes in lipid oxidation were related to the processing technology, especially the air-drying time. Thirty-five volatiles were identified, of which nonanal, 1-octen-3-ol, hexanal, benzaldehyde, and 2-pentylfuran were the characteristic aroma compounds. Staphylococcus, Vibrio, and Lactococcus were the dominant genera during the processing. Staphylococcus and Lactococcus were positively correlated with the characteristic flavor compounds and lipid oxidation products. These findings offer novel insights into the flavor formation of dry-cured ducks and offer deeper theoretical guidance for their preparation and production.

Identification of characteristic aroma compounds of Longjing tea and their molecular mechanisms of interaction with olfactory receptors using molecular docking

Identification of characteristic aroma compounds of Longjing tea and their molecular mechanisms of interaction with olfactory receptors using molecular docking

Effect of mixed fermentation of Lactiplantibacillus plantarum and Lactiplantibacillus pentosus on phytochemical and flavor characteristics of Wallace melon juice.

Melons (Cucumis melo L.) are among the most commonly consumed fruits but they are highly susceptible to mechanical damage and rot during storage and transportation. New processed products are needed to avoid postharvest fruit loss and to increase health benefits. Fermentation is an effective means of utilizing the nutrients and improving flavor. Fermented melon juice (MJ) was prepared using three potential probiotics Lactiplantibacillus plantarum CICC21824 (LP), Lactiplantibacillus plantarum GB3-2 (LG), and Lactiplantibacillus pentosus XZ-34 (LX). The nutrition, flavor characteristics, and digestive properties of different fermented MJs were compared. The results demonstrated that, in comparison with mono-fermentation, mixed fermentation by LG and LX could increase the level of organic acids and phenolic acids. Correspondingly, antioxidant capacity was improved significantly and positively correlated with p-coumaric acid and cinnamic acid content. The production of alcohols and acids was more strongly enhanced by mixed culture fermentation, whereas mono-fermentation reduced the content of esters, especially ethyl acetate and isopropyl acetate. Aldehydes and ketones increased significantly in fermented MJ, and damascenone and heptanal could be the characteristic aroma compounds. Mixed fermented MJ provides more beneficial phytochemicals, better flavor, and stronger antioxidant properties than mono-fermentation. © 2024 Society of Chemical Industry.

Unraveling the characteristic chestnut aroma compounds in MeiTanCuiYa green tea and their interaction mechanisms with broad-spectrum olfactory receptors using molecular docking

The important characteristics of chestnut aroma compounds in MeiTanCuiYa (MTCY) green tea were determined using gas chromatography-mass spectrometry-olfactometry (GC-MS-O), two-dimensional gas chromatography-quadrupole mass spectrometry (GC × GC-qMS), chiral analysis, and partial least squares-discriminant analysis (PLS-DA). The results indicated that geraniol, (S)-(−)-furaneol, benzothiazole, 2-ethyl-3,6-dimethylpyrazine, coumarin, (R)-(−)-linalool, (E)-geranylacetone, phenylacetaldehyde, 2-pentylfuran, 2-ethyl-5-methylpyrazine, β-cyclocitral, benzyl alcohol, β-ionone, 2,5-dimethylpyrazine, furfural, etc. were closely related to the chestnut aroma. Furthermore, the molecular docking was used to analyze the region, binding energy, and force of the interaction between the chestnut aroma compounds (geraniol, (S)-(−)-furaneol, benzothiazole, 2-ethyl-3,6-dimethylpyrazine and coumarin) and ORs (OR1G1, OR1W2, OR52D1, OR5M3, OR5K1). The average binding energies of these compounds on the five receptors were −4.14 kcal/mol, −4.42 kcal/mol, −4.36 kcal/mol, −4.96 kcal/mol, and −5.79 kcal/mol, respectively. Hydrogen bonding, hydrophobic interactions and π-π stacking are important driving forces. The mechanism of formation of chestnut aroma was revealed, which provides theoretical guidance for the regulation of chestnut aroma in MTCY.