Meeting Report on the 3rd Chinese American Society for Mass Spectrometry Conference-Advancing Biological and Pharmaceutical Mass Spectrometry.

Following the highly successful Chinese American Society for Mass Spectrometry (CASMS) conferences in the previous 2 years, the 3rd CASMS Conference was held virtually on August 28-31, 2023, using the Gather.Town platform to bring together scientists in the MS field. The conference offered a 4-day agenda with a scientific program consisting of two plenary lectures, and 14 parallel symposia in which a total of 70 speakers presented technological innovations and their applications in proteomics and biological MS and metabo-lipidomics and pharmaceutical MS. In addition, 16 invited speakers/panelists presented at two research-focused and three career development workshops. Moreover, 86 posters, 12 lightning talks, 3 sponsored workshops, and 11 exhibitions were presented, from which 9 poster awards and 2 lightning talk awards were selected. Furthermore, the conference featured four young investigator awardees to highlight early-career achievements in MS from our society. The conference provided a unique scientific platform for young scientists (i.e. graduate students, postdocs, and junior faculty/investigators) to present their research, meet with prominent scientists, learn about career development, and job opportunities (http://casms.org).

Meeting Report on the 2nd Chinese American Society for Mass Spectrometry Conference: Advancing Biological and Pharmaceutical Mass Spectrometry.

The 2nd CASMS conference was held virtually through Gather. Town platform from October 17 to 21, 2022, with a total of 363 registrants including an outstanding and diverse group of scientists at the forefront of their research fields from both academia and industry worldwide, especially in the United States and China. The conference offered a 5-day agenda with an exciting scientific program consisting of two plenary lectures, 14 parallel symposia, and 4 special sessions in which a total of 97 invited speakers presented technological innovations and their applications in proteomics & biological mass spectrometry and metabo-lipidomics & pharmaceutical mass spectrometry. In addition, 18 invited speakers/panelists presented at 3 research-focused and 2 career development workshops. Moreover, 144 posters, 54 lightning talks, 5 sponsored workshops, and 14 exhibitions were presented, from which 20 posters and 8 lightning talks received presentation awards. Furthermore, the conference featured 1 MCP lectureship and 5 young investigator awardees for the first time to highlight outstanding mid-career and early-career rising stars in mass spectrometry from our society. The conference provided a unique scientific platform for young scientists (i.e., graduate students, postdocs and junior faculty/investigators) to present their research, meet with prominent scientists, and learn about career development and job opportunities (http://casms.org).

Interfacial Structure and Interfacial Tension in Model Carbon Fiber-Reinforced Polymers.

Carbon fiber-reinforced plastics (CFRPs) are widely used materials with outstanding mechanical properties. The wettability between the polymer matrix and carbon fiber in the interphase region significantly influences the strength of the composite. Sizing agents consisting of multiple components are therefore frequently applied to improve wetting and interfacial adhesion between polymers and carbon fiber in CFRPs. However, the complex compositions of sizing solutions make detailed interpretations of their impacts on interfacial wetting difficult. In this work, surface-sensitive sum frequency generation (SFG) spectroscopy was utilized to characterize the sizing/polymer and sizing/carbon fiber interfacial structures to gain molecular-level understandings of the wetting improvements afforded by sizing. A mixture sizing solution containing polyethylenimine (PEI, adhesion promoter) and Lutensol (surfactant) was investigated when contacting nylon (model plastics), polypropylene (model plastics), and graphite (model carbon fiber). Our results demonstrated that although the addition of the surfactant led to an interfacial tension decrease (in comparison to pure PEI solution) on nylon and polypropylene, the interfacial tension was surprisingly increased on graphite, contrasting with the commonly accepted function of surfactants. SFG characterizations revealed the multilayer molecular structures at these buried interfaces. The peculiar interfacial tension increase at the graphite/sizing interface was then correlated to the strong amine-π interactions between PEI and graphite. PEI was therefore demonstrated to be an effective adhesion promoter for carbon fiber. This article reports the first investigation of (polymer + surfactant) complex structures at solid-liquid interfaces. The valuable structural insights obtained by SFG analysis enable more accurate understandings of the composition-wettability (structure-function) relationship. These detailed understandings of interactions between sizing and the substrates promote more informed and optimized selections of sizing formulae.

Corn Oil-Water Separation: Interactions of Proteins and Surfactants at Corn Oil/Water Interfaces.

Purification and collection of industrial products from oil-water mixtures are commonly implemented processes. However, the efficiencies of such processes can be severely influenced by the presence of emulsifiers that induce the formation of small oil droplets dispersed in the mixtures. Understanding of this emulsifying effect and its counteractions which occur at the oil/water interface is therefore necessary for the improvement of designs of these processes. In this paper, we investigated the interfacial mechanisms of protein-induced emulsification and the opposing surfactant-induced demulsification related to corn oil refinement. At corn oil/water interfaces, the pH-dependent emulsifying function of zein protein, which is the major storage protein of corn, was elucidated by the surface/interface-sensitive sum frequency generation (SFG) vibrational spectroscopy technique. The effective stabilization of corn oil droplets by zein protein was illustrated and correlated to its ordered amide I group at the oil/water interface. Substantial decrease of this ordering with the addition of three industrial surfactants to corn oil-zein solution mixtures was also observed using SFG, which explains the surfactant-induced destabilization and coalescence of small oil droplets. Surfactant-protein interaction was then demonstrated to be the driving force for the disordering of interfacial proteins, either by disrupting protein layers or partially excluding protein molecules from the interface. The ordered zein proteins at the interface were therefore revealed to be the critical factor for the formation of corn oil-water emulsion.

[Chemical constituents from barks of Nothopanax delavayi].

Eleven compounds were isolated and purified from the barks extract of Nothopanax delavayi and their structures were identified as serratagenic acid-3-O-alpha-L-arabinopyranosyl-28-O-beta-D-glucopyranosyl ester (1), serratagenic acid-3-0-alpha-L-arabi-nopyranosyl-28-O-[alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl] ester (2), serratagenic acid (3), serratagenic acid-3-O-alpha-L-arabinopyranoside (4), serratagenic acid-beta-O-beta-(2', 4'-O-diacetyl) -D-xylopyranosyl-28-O-[alpha-L-rhamnopy-ranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->46)-beta-D-glucopyranosyl] ester (5), serratagenic acid-3-O-alpha-(4'-O-acetyl)-L-arabino pyrano-syl-28-0- [-alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl] ester(6), serratagenic acid-3-O-alpha-(2'-O-acetyl)-L-arabinopyranosyl-28-O-[-alpha-L-rhamnopyranosyl- (1-->4) -beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl] ester(7), serratagenic acid-3-0-beta-D-xylopyranosyl-28-O-[-alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl] ester (8), protocatechuic acid (9), ethyl caffeate (10) and caffeic anhydride (11) by physicochemical properties and spectroscopic data analysis. Among them, compounds 3-4 and 9-11 were firstly isolated from the genus Nothopanax, and compounds 5-8 were isolated from this plant for the first time.

Two new phenylpropanoids from Micromelum integerrimum.

AIM: To investigate the chemical and bioactive constituents from the stems and leaves of Micromelum integerrimum. METHOD: The chemical constituents were isolated and purified by silica gel, Sephadex LH-20, and HPLC. Their structures were mainly elucidated on the basis of extensive 1D- and 2D-NMR spectroscopy and mass spectrometry. Their cytotoxicity and antimicrobial activities were tested by the SRB and turbidimetric methods, respectively. RESULTS: Two new phenylpropanoids and two known coumarins were obtained, and their structures were identified as microintegerrin A (1), microintegerrin B (2), scopoletin (3), and scopolin (4). All of the compounds were tested for their cytotoxicity against three cancer cell lines (HeLa, A549, and BGC-823) and for antimicrobial activity against the fungus Candida albicans and the bacterium Staphylococcus aureus. CONCLUSION: Two new phenylpropanoids 1 and 2 were isolated and identified from the stems and leaves of M. intgerrimum. None of the compounds showed cytotoxic or antimicrobial activity at the tested concentration of 20 µg·mL(-1).

[Chemical constituents from ethyl acetate extract of Shiaria bambusicola].

Fourteen compounds were isolated and purified from the ethyl acetate of the ethanol extract of Shiaria bambusicola by various chromatographic methods, and their structures were elucidated by spectral techniques and physicochemical properties as hypocrellin A (1), hypocrellin B (2), hypocrellin C (3), hypomycin A (4), ergosterol (5), ergosterol peroxide (6), (22E, 24R)-5alpha, 8alpha-epidioxy-6,9(11),22-trien-3beta-ol (7), ergosta-7, 24(28)-dien-3beta-ol (8), (22E, 24R)-ergost-7, 22-dien-3beta, 5alpha, 6beta-triol (9), (22E,24R)-ergosta-7, 22-diene-3beta, 5alpha, 6beta-triol-3-O-palmitate (10), (22E, 24R)-ergosta-7, 22-diene-3beta, 5alpha, 6beta-triol-6-O-palmitate (11), 1-O-monostearin (12), 1, 3-O-distearin (13), and mannitol (14). Among them, compounds 7-13 were firstly isolated from this genus.

[Triterpene saponins from Adinandra nitida].

To investigate the chemical constituents of the leaves of Adinandra nitida, several column chromatography methods were used to isolate the chemical constituents of this plant. The structures were elucidated on the basis of spectral data. Six compounds were isolated and identified as 2alpha, 3alpha, 19alpha-trihydroxy-olean-12-en-28-oic acid-28-O-beta-D-glucopyranoside (1), arjunetin (2), sericoside (3), glucosyl tormentate (4), nigaichigoside F1 (5) and arjunglucoside I (6), separately. Compound 1 is a new compound, and compounds 2 -6 were isolated from A. nitida for the first time.

Preparative isolation and purification of chemical components from Aconitum coreanum by high-speed counter-current chromatography coupled with evaporative light scattering detection.

Aconitum coreanum (Lèvl.) Rapaics (Guanbaifu in Chinese) is a widely used, centuries-old Chinese herb. A preparative high-speed counter-current chromatography (HSCCC) coupled with evaporative light scattering detection (ELSD) method was employed for isolation and purification of alkaloids from the crude extract of Aconitum coreanum (Lèvl.) Rapaics using ethyl acetate-n-butanol-methanol-0.2 m HCl (7:2:2:7, v/v) as a two-phase solvent system. Six alkaloids, including GFO, GFQ, GFZ, hetisinone, hetisine and GFAA, were obtained in one-step separation. The purity of these compounds was 97.6, 93.8, 91.8, 91.9, 96.2 and 91.1%, respectively.

[Study on chemical constituents from Desmodium styracifolium].

OBJECTIVE: To investigate the chemical constituents from Desmodium styracifolium (Osheck) Merr.. METHODS: Column chromatographic techniques were used for isolation and purification of chemical constituents of the plant and the structures were elucidated hy spectroscopic analysis. RESULTS: Nine compounds were isolated and identified as: 6-C-glycopyranosyl-8-C-arabinosyl apigenin (I),6-C-glycopyranosyl luteolin (2), 6-C-glyeopyranosyl-8-C-xyvloeyl apigenin (3), 6-C-glycopranosyl-8-C-glyeopyrnosyl, apigenin (4), apigenin(5), luteolin (6), stigmasterol-3-O-beta-D-glucopyranoside (7), beta-dauosterol (8) and B-sitosterol (9). CONCLUSION: Com-pounds 4-8 are isolated from this plant for the first time.

[Chemical constituents from root barks of Periploca sepium].

OBJECTIVE: To investigate the chemical constituents of the root barks of Periploca sepium. METHOD: Column chromatographic techniques were used to isolate the chemical constituents. NMR and MS methods were employed for their structural elucidation. RESULT: Eight compounds were isolated and identified as isovanillin (1), vanillin (2), 4-methoxysalicylic acid (3), (24R)-9, 19-cycloart-25-ene-3beta, 24-diol (4), (24S)-9, 19-cycloart-25-ene-3beta, 24-diol (5), cycloeucalenol (6), beta-amyrin acetate (7) and alpha-amyrin (8). CONCLUSION: Compounds 1-6 were isolated from this plant for the first time.

[Flavones from flowers of Sesamum indicum].

OBJECTIVE: To investigate the chemical constituents from flowers of Sesamum indicum. METHOD: Column chromatography with silica gel, C18 and Sephadex LH -20 as packing materials was used to separate the chemical constituents, and the structures were determined by chemical and spectroscopic methods. RESULT: Six flavones were isolated and elucidated as apigenin (1), ladanetin (2), ladanetin-6-O-beta-D-glucoside (3), apigenin-7-O-glucuronic acid (4), pedalitin (5), and pedalitin-6-O-glucoside (6). CONCLUSION: All of the compounds were isolated from this plant for the first time.

A new phenolic glycoside from the roots of Lygodium japonicum.

A new phenolic glycoside, 3,4-dihydroxybenzoic acid 4-O-(4'-O-methyl)-beta-D-glucopyranoside (1), was isolated from the roots of Lygodium japonicum. The structure was elucidated on the basis of spectroscopic methods.

[Chemical constituents from flos Sesamum indicum L].

Sesame (Sesamum indicum L. ) belongs to Pedaliaceae, and its dry flowers have been used to cure alopecia, frostbite and constipation as a Traditional Chinese Medicine. Interestingly, the Flos Sesamum indicum L. was usually used to cure verruca vulgaris and verruca plana in folk of China, and showed a pleasant result. Previous chemical investigations of this plant mainly concentrate on its seeds, showed the presence of proteins and fat oils, herein we make a systematic chemical research on the dry flowers of this plant. Column chromatography including silica gel, C18 and Sephadex LH-20 were used to separate the chemical constituents and the structures were determined by chemical and spectroscopic methods. Ten compounds were isolated from the 95% ethanol extract of the plant and elucidated as latifonin (1), momor-cerebroside (2), soya-cerebroside II (3), 1-O-beta-D-glucopyranosyl-(2S, 3S, 4R, 5E,9Z)-2-N-(2'-hydroxytetracosanoyl) 1,3,4-trihydroxy-5,9-octadienine (4), 1-O-beta-D-glucopyranosyl-(2S, 3S, 4R, 8Z)-2-N-(2' R) 2'-hydroxytetracosanoyl) 3,4-dihydroxy-8-octadene (5), (2S, 1" S) -aurantiamide acetate (6), benzyl alcohol-O-(2'-O-beta-D-xylopyranosyl, 3'-O-beta-D-glucopyranoside)-beta-D-glucopyranoside (7), beta-sitosterol (8), daucosterol (9) and D-galacititol (10). Among them, 4 is a new compound, and others were isolated from the flowers of the plant for the first time. Compounds 2 to 4 belong to cerebroside, which is rare to be found in land plants and was proved to possess many bioactivities.

Preparative isolation and purification of bioactive constituents from Aconitum coreanum by high-speed counter-current chromatography coupled with evaporative light scattering detection.

Preparative high-speed counter-current chromatography (HSCCC) coupled with evaporative light scattering detection (ELSD) was employed for the isolation and purification of alkaloids from the roots of Aconitum coreanum (Lèvl.) Rapaics. The two-phase solvent system used in HSCCC was n-hexane-ethyl acetate-methanol-0.2M HCl (1:3.5:2:4.5, v/v/v/v). Six alkaloids were obtained and yielded 10.4 mg of Guanfu base P, 9.2 mg of Guanfu base G, 9.5 mg of Guanfu base F, 8.9 mg of atisine, 11.9 mg of Guanfu base A and 25.7 mg of Guanfu base I from 2 g of crude extracts. The purity of these compounds was 96.9%, 95.7%, 91.5%, 98.9%, 95.8% and 95.5%, respectively, as determined by high-performance liquid chromatography (HPLC). Their chemical structures were identified by MS, (1)H NMR and (13)C NMR.

Two new eremophilanolides from Xanthium sibiricum.

Two new eremophilanolides, sibiriolides A (1) and B (2), were isolated from the aerial parts of Xanthium sibiricum. The structures of the new compounds were identified as 4S,5R,7R,8R, 11R-2-oxo-1(10)-eremophilen-12,8-olide (1) and 4S,5R,7R,8R,11S-2-oxo-1(10)-eremophilen-12,8-olide (2) by HREIMS and NMR spectroscopic techniques in combination with X-ray crystallographic analysis and CD measurements.

[Chemical constituents from branch of Broussonetia papyrifera].

OBJECTIVE: To investigate the chemical constituents from the branch of Broussonetia papyrifera. METHOD: Column chromatographic methods were used to isolate the chemical constituents. ESI-MS and NMR methods were employed for their structural elucidation. RESULT: Six compounds were isolated and identified as (2S)-7, 3'-dihydroxy-4'-methoxyflavan (1), ergosterol peroxide (2), D-galacitol (3), sulfuretin (4), liriodendrin (5), graveolone (6), respectively. CONCLUSION: Compounds 1-6 were isolated from the plant for the first time.

Iridoids from Neopicrorhiza scrophulariiflora and their hepatoprotective activities in vitro.

Four new non-glycosidic iridoids, piscrocins D (1), E (2), F (6), and G (7), as well as two new iridoid glycosides, piscrosides A (8) and B (9), were isolated from the roots of Neopicrorhiza scrophulariiflora (Scrophulariaceae), together with seven known iridoids. The structures of the isolated compounds were established by means of 1D and 2D NMR spectroscopy and chemical methods. The hepatoprotective activities of these compounds were evaluated by measuring their effects on CCl(4)-induced hepatocytes damage in vitro, and the structure-activity relationships were also discussed.

Four new cycloartane glycosides from Thalictrum fortunei.

Four new cycloartane glycosides were isolated from the aerial parts of Thalictrum fortunei (Ranunculaceae). The chemical structures of these new glycosides were elucidated as 3-O-beta-D-glucopyranosyl-(1-->4)-beta-D-fucopyranosyl (22S,24Z)-cycloart-24-en-3beta,22,26-triol 26-O-beta-D-glucopyranoside, 3-O-beta-D-glucopyranosyl-(1-->4)-beta-D-fucopyranosyl (22S,24Z)-cycloart-24-en-3beta,22,26-triol 26-O-beta-D-quinovopyranosyl-(1-->6)-beta-D-glucopyranoside, 3-O-beta-D-glucopyranosyl-(1-->4)-beta-D-fucopyranosyl (22S,24Z)-cycloart-24-en-3beta,22,26-triol 26-O-beta-D-xylopyranosyl-(1-->6)-beta-D-glucopyranoside, and 3-O-beta-D-glucopyranosyl-(1-->4)-beta-D-fucopyranosyl (22S,24Z)-cycloart-24-en-3beta,22,26-triol 26-O-alpha-L-arabinopyranosyl-(1-->6)-beta-D-glucopyranoside by extensive NMR methods, HR-ESI-MS, and hydrolysis. This is the first report of (22S,24Z)-3beta,22,26-trihydroxycycloartan-24-ene (thelictogenin A, 5) being glycosylated at C-26.

[Studies on the chemical constituents in herb of Lygodium japonicum].

OBJECTIVE: To study the chemical constituents of Lygodium japonicum. METHOD: Column chromatographic techniques were used for isolation and purification of chemical constituents of this plant and their structures were identified by spectroscopic analysis. RESULT: Eight compounds were isolated and identified as tilianin (I), kaempferol-7-O-alpha-L-rhamnopyranoside (II), kaempferol (III), p-coumaric acid (IV), hexadecanoic acid 2, 3-dihydroxy-propyl ester (V), daucosterol (VI), beta-sitosterol (VII, and 1-hentriacontanol (VIII) respectively. CONCLUSION: Compounds I, II, V, VI, VII, VIII were isolated from L. japonicum for the first time, compounds I, II, V were isolated from genus Lygodium for the first time.