Medicinal and dietary plants provide numerous nutritional and functional compounds and also have various potential health benefits to humanity.The specific and efficient techniques for accurate identification of nutri...Medicinal and dietary plants provide numerous nutritional and functional compounds and also have various potential health benefits to humanity.The specific and efficient techniques for accurate identification of nutritional compounds and functional metabolites is crucial for the development of functional foods from medicinal and dietary plants.Nuclear magnetic resonance(NMR)and mass spectrometry(MS)are indispensable and essential technologies that provide an unsurpassed wealth of untargeted identification,quantitative and qualitative analysis,and structural information in the study of food and plant products.In the past decade,the rapid development of modern analytical technology has led to the emergence of new approaches and strategies for natural products discovery.Especially the application of novel NMRand MS-based identification and dereplication strategies aided by artificial intelligence and machine learning algorithms have brought about a significant shift in the natural products discovery process.These developments and changes in the natural products filed have given us insights into how to accurately target and mining nutritional,functional,and bioactive compounds.Thus,we have summarized recent research on novel NMR and MS based strategies and methods focusing on functional compounds,accurate identification and efficient discovery mainly in medicinal and dietary plants.This review could provide a comprehensive perspective for a better understanding of novel strategies and methods based on NMR and MS technologies,which could provide valuable insights and ideas for functional compounds mining.展开更多
The possible geometries of Fe(HCN)n (n = 1~6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state ...The possible geometries of Fe(HCN)n (n = 1~6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state of each fragmental ion are C∞v (4Σ+ or Σ ), D∞h (4Σg ), D3 (4A1 ), C2 or Td or C3v (4A1), and D3 (4A1 ) or C4 ( A1 ) sequentially 6 + + ′ ′ ′ 2 ′ h v h v with n = 1～5. For the compound Fe(HCN)6 , the possible geometry was not obtained. The + sequential incremental interaction energy (–?(?E)), dissociation energy (?D0), enthalpy (–?(?H)) and Gibbs free energy (–?(?G)), and frequencies for HCN-Fe(HCN)n + -1 were also calculated, and the results are all in good agreement with the experiments. The bond length of Fe–N is lengthened with the increase of cluster size, and the strength of Fe+–N coordination bond varies nonmon- tonically as increasing the number of ligands. The Fe+–N bond of Fe(HCN)2 is the strongest in all + compounds.展开更多
A novel compound [Cl2Bz（3-MeQl） ]（TCNQ） （[Cl2Bz（3-MeQl） ]^＋ = 1-（3,4-dichlo-robenzyl） 3-methlquinoline cation,TCNQ-= 7,7,8,8-tetracyanoquinodimethanide anion） has been synthesized by the reaction of [Cl2Bz...A novel compound [Cl2Bz（3-MeQl） ]（TCNQ） （[Cl2Bz（3-MeQl） ]^＋ = 1-（3,4-dichlo-robenzyl） 3-methlquinoline cation,TCNQ-= 7,7,8,8-tetracyanoquinodimethanide anion） has been synthesized by the reaction of [Cl2Bz（3-MeQl） ]Br and LiTCNQ,and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic,space group P21/c. The structure analysis shows that the anions are stacked into a column with isolated π-dimers,and there is one type of TCNQ entries（TCNQ^-） ,in agreement with the IR spectra analysis and density functional theory calculations of the compound. The most prominent structural features are the completely segregated stacking columns of the TCNQ- anions and [Cl2Bz（3-MeQl）]＋ cations.展开更多
Sorption enhanced steam methane reforming（SE-SMR） was performed to maximize hydrogen production and contemporary remove COfrom the product stream using bi-functional sorbent-catalyst compounds.Samples were tested at...Sorption enhanced steam methane reforming（SE-SMR） was performed to maximize hydrogen production and contemporary remove COfrom the product stream using bi-functional sorbent-catalyst compounds.Samples were tested at two different scales: micro and laboratory. The CaO amount varied in the CaO-CaAlOsorbent system synthesized by wet mixing(CaO content of 100 wt%, 56 wt%, 30 wt%, or 0 wt% and balance of CaAlO) which were upgraded to bi-functional compounds by impregnation of 3 wt% of Ni. Nitrogen adsorption（BET/BJH）, X-Ray Diffraction（XRD）, Temperature-Programmed Reduction（TPR） and Scanning and Transmission Electronic Microscopy（SEM and TEM, respectively） analyses were performed to characterize structural and textural properties and reducibility of the bi-functional materials and evaluate their catalytic behavior. A fixed sorbent composition CaO-CaAlO(56 wt% of CaO and CaAlObalance), was chosen to study the effect of different weight hourly space times（WHST） and CHstream compositions in SE-SMR activity. Impregnated mayenite at both micro and laboratory scales showed stable Hcontent of almost 74%, with CHconversion of 72% similarly to the values reported by the sample containing 30 wt% of CaO in the post-breakthrough.Sample with 30 wt% of CaO showed promisingly behavior, enhancing Hcontent up to almost 94.5%.When the sorption enhanced reaction is performed roughly 89% of CHconversion is achieved, and after the pre-breakthrough, the catalyst worked at the thermodynamic level. During cycling sorption/regeneration experiments, even if COremoval efficiency slightly decreases, CHconversion and Hyield remain stable.展开更多
Two Co(II)-MOFs with different structures were successfully synthesized under the premise of designing two ligands containing alkynyl functional groups. Complexes 1 ([Co(TEPA)(TPT)2/3]·2DMF·H2O) and 2 ([Co(E...Two Co(II)-MOFs with different structures were successfully synthesized under the premise of designing two ligands containing alkynyl functional groups. Complexes 1 ([Co(TEPA)(TPT)2/3]·2DMF·H2O) and 2 ([Co(EPA)(TPT)]·1.5DMF·1.5H2O) show excellent luminescence properties. Meanwhile, as fluorescent sensors, complexes 1 and 2 exhibit selectivity and sensitivity for Fe3+ with the Ksv of 1.520 ×104 L/mol and 3.543 ×104 L/mol, which can rapidly detect nitroaromatic compounds in methanol and ethanol, especially for 2,4-NPH through fluorescence quenching with high quenching efficiency. In particular, the Ksv value of complexes 1 and 2 towards 2,4-NPH can reach up to 1.627 ×105 L/mol and 9.600 ×104 L/mol, demonstrating that complexes 1 and 2 are good candidates for the identification and detection of Fe3+and nitroaromatic compounds.展开更多
基金financially supported by the National Key R&D Program of China(2022YFF1100301)Major Science and Technology Project of Henan Province(231100310200)+1 种基金National Natural Science Foundation of China(32370426)Yunnan Province Science and Technology Department(202305AH340005),and Dr Plant。
文摘Medicinal and dietary plants provide numerous nutritional and functional compounds and also have various potential health benefits to humanity.The specific and efficient techniques for accurate identification of nutritional compounds and functional metabolites is crucial for the development of functional foods from medicinal and dietary plants.Nuclear magnetic resonance(NMR)and mass spectrometry(MS)are indispensable and essential technologies that provide an unsurpassed wealth of untargeted identification,quantitative and qualitative analysis,and structural information in the study of food and plant products.In the past decade,the rapid development of modern analytical technology has led to the emergence of new approaches and strategies for natural products discovery.Especially the application of novel NMRand MS-based identification and dereplication strategies aided by artificial intelligence and machine learning algorithms have brought about a significant shift in the natural products discovery process.These developments and changes in the natural products filed have given us insights into how to accurately target and mining nutritional,functional,and bioactive compounds.Thus,we have summarized recent research on novel NMR and MS based strategies and methods focusing on functional compounds,accurate identification and efficient discovery mainly in medicinal and dietary plants.This review could provide a comprehensive perspective for a better understanding of novel strategies and methods based on NMR and MS technologies,which could provide valuable insights and ideas for functional compounds mining.
基金This research was supported by the National Natural Science Foundation of China (20273013 20303002)+1 种基金 the Key Foundation of Fujian Province (K02012) the Foundation of State Key Laboratory of Structural Chemistry (020051) and of Fuzhou University
文摘The possible geometries of Fe(HCN)n (n = 1~6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state of each fragmental ion are C∞v (4Σ+ or Σ ), D∞h (4Σg ), D3 (4A1 ), C2 or Td or C3v (4A1), and D3 (4A1 ) or C4 ( A1 ) sequentially 6 + + ′ ′ ′ 2 ′ h v h v with n = 1～5. For the compound Fe(HCN)6 , the possible geometry was not obtained. The + sequential incremental interaction energy (–?(?E)), dissociation energy (?D0), enthalpy (–?(?H)) and Gibbs free energy (–?(?G)), and frequencies for HCN-Fe(HCN)n + -1 were also calculated, and the results are all in good agreement with the experiments. The bond length of Fe–N is lengthened with the increase of cluster size, and the strength of Fe+–N coordination bond varies nonmon- tonically as increasing the number of ligands. The Fe+–N bond of Fe(HCN)2 is the strongest in all + compounds.
基金Supported by the National Natural Science Foundation of China (Nos.20771006 and 20901004)
文摘A novel compound [Cl2Bz（3-MeQl） ]（TCNQ） （[Cl2Bz（3-MeQl） ]^＋ = 1-（3,4-dichlo-robenzyl） 3-methlquinoline cation,TCNQ-= 7,7,8,8-tetracyanoquinodimethanide anion） has been synthesized by the reaction of [Cl2Bz（3-MeQl） ]Br and LiTCNQ,and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic,space group P21/c. The structure analysis shows that the anions are stacked into a column with isolated π-dimers,and there is one type of TCNQ entries（TCNQ^-） ,in agreement with the IR spectra analysis and density functional theory calculations of the compound. The most prominent structural features are the completely segregated stacking columns of the TCNQ- anions and [Cl2Bz（3-MeQl）]＋ cations.
基金The financial support of European Contract 299732 UNIfHY(UNIQUE For HYdrogen production, funded by FCH-JU under the topic SP1-JTI-FCH.2011.2.3: Biomass-toHydrogen thermal conversion processes)
文摘Sorption enhanced steam methane reforming（SE-SMR） was performed to maximize hydrogen production and contemporary remove COfrom the product stream using bi-functional sorbent-catalyst compounds.Samples were tested at two different scales: micro and laboratory. The CaO amount varied in the CaO-CaAlOsorbent system synthesized by wet mixing(CaO content of 100 wt%, 56 wt%, 30 wt%, or 0 wt% and balance of CaAlO) which were upgraded to bi-functional compounds by impregnation of 3 wt% of Ni. Nitrogen adsorption（BET/BJH）, X-Ray Diffraction（XRD）, Temperature-Programmed Reduction（TPR） and Scanning and Transmission Electronic Microscopy（SEM and TEM, respectively） analyses were performed to characterize structural and textural properties and reducibility of the bi-functional materials and evaluate their catalytic behavior. A fixed sorbent composition CaO-CaAlO(56 wt% of CaO and CaAlObalance), was chosen to study the effect of different weight hourly space times（WHST） and CHstream compositions in SE-SMR activity. Impregnated mayenite at both micro and laboratory scales showed stable Hcontent of almost 74%, with CHconversion of 72% similarly to the values reported by the sample containing 30 wt% of CaO in the post-breakthrough.Sample with 30 wt% of CaO showed promisingly behavior, enhancing Hcontent up to almost 94.5%.When the sorption enhanced reaction is performed roughly 89% of CHconversion is achieved, and after the pre-breakthrough, the catalyst worked at the thermodynamic level. During cycling sorption/regeneration experiments, even if COremoval efficiency slightly decreases, CHconversion and Hyield remain stable.
基金supported by the National Natural Science Foundation of China(NSFC, No. 21771191)the Taishan Scholar Foundation(No. ts201511019)+1 种基金the Shandong Natural Science Fund (No.ZR2017QB012)the Fundamental Research Funds for the Central Universities(Nos.16CX05015A,18CX06003A,YCX2018071)
文摘Two Co(II)-MOFs with different structures were successfully synthesized under the premise of designing two ligands containing alkynyl functional groups. Complexes 1 ([Co(TEPA)(TPT)2/3]·2DMF·H2O) and 2 ([Co(EPA)(TPT)]·1.5DMF·1.5H2O) show excellent luminescence properties. Meanwhile, as fluorescent sensors, complexes 1 and 2 exhibit selectivity and sensitivity for Fe3+ with the Ksv of 1.520 ×104 L/mol and 3.543 ×104 L/mol, which can rapidly detect nitroaromatic compounds in methanol and ethanol, especially for 2,4-NPH through fluorescence quenching with high quenching efficiency. In particular, the Ksv value of complexes 1 and 2 towards 2,4-NPH can reach up to 1.627 ×105 L/mol and 9.600 ×104 L/mol, demonstrating that complexes 1 and 2 are good candidates for the identification and detection of Fe3+and nitroaromatic compounds.
