Resilience of Chemistry: An Introduction to the Agricultural and Food Chemistry Technical Program at the 262nd American Chemical Society National Hybrid Meeting & Exposition, Both Online and in Atlanta, Georgia.

This is the third special issue of the Journal of Agricultural and Food Chemistry (JAFC) based on the Agricultural and Food Chemistry Division (AGFD) technical program, at the 262nd American Chemical Society National Meeting. This was the first national meeting held in a hybrid format, both virtually and in-person in Atlanta, Georgia, U.S.A., on August 22-26, 2021. The AGFD proudly hosted 12 symposia, including three award symposia. There were 34 sessions held in total, with 143 oral presentations and 49 poster presentations. This meeting was highly successful in terms of attendance, and technology issues experienced at the previous virtual meetings were successfully resolved.

Moving Chemistry from Bench to Market: An Introduction to the Agricultural and Food Chemistry Technical Program at the 260th American Chemical Society Fall 2020 Virtual Meeting & Expo.

This is the second special issue of the Journal of Agricultural and Food Chemistry (JAFC) that reviews the Agricultural and Food Chemistry Division (AGFD) technical program from a national meeting of the American Chemical Society (ACS). The 260th meeting was virtually held on August 17-20, 2020 as a result of the COVID-19 pandemic. Although it was the first-ever all online meeting in ACS history, a total of 311 abstracts were submitted to the AGFD technical program for oral and poster presentations and 34 technical sessions were held in 22 symposia, which covered a broad range of food and agricultural topics. The very first virtual ACS meeting was successful with the high quality of presentations, the number of online audiences, and seamless technology.

Profiling of volatile and non-phenolic metabolites-Amino acids, organic acids, and sugars of green tea extracts obtained by different extraction techniques.

Volatile compounds and non-phenolic metabolites (amino acids, organic acids, and sugars) of aqueous green tea extracts obtained by ultrasonic extraction (UE), agitation extraction (AE), hot water extraction (HWE), and conventional extraction (CE) were determined using SPME-GC-MS and HPLC, respectively. Significantly higher (P < 0.05) yields of volatiles and non-phenolic metabolites were obtained via UE and AE than via HWE and CE. UE, AE, HWE, and CE released 212, 201, 103, and 65 volatiles, respectively. Sum total of amino acid and organic acid in extracts was 54.57, 54.35, 27.11, and 12.67 (mg/100 g), and 5.96, 6.19, 3.81, and 1.68 (mg/100 g) for UE, AE, HWE, and CE, respectively. Volatiles except nitrogen-containing compounds had higher positive correlations with l-theanine, sucrose, malic acid, and catechins yields. Findings of the current study suggest that an efficient extraction technique may significantly increase volatile and non-phenolic metabolite yields in aqueous green tea extract.

Photo-based PDT/PTT dual model killing and imaging of cancer cells using phycocyanin-polypyrrole nanoparticles.

Photodynamic therapy (PDT) and photothermal therapy (PTT) using nanoparticles have gained significant attention for its therapeutic effect for cancer treatment. In the present study, we fabricated polypyrrole nanoparticles by employing bovine serum albumin-phycocyanin complex and the formulated particles were stable in various physiological solutions like water, phosphate buffered saline and culture media. The formulated nanoparticles did not cause any noticeable toxicity to MDA-MB-231 and HEK-293 cells. The obtained nanoparticles effectively killed MDA-MB-231 cells in a dual way upon laser illumination, one is through phycocyanin propagated reactive oxygen species (PDT) upon laser illumination and in another way it eradicated the treated cells by converting optical energy into heat energy (PTT). Additionally, the nanoparticles generated good amplitude of ultrasound signals under photoacoustic imaging (PAT) system that facilitates imaging of treated cells. In conclusion, the fabricated particles could be used as a multimodal therapeutic agent for treatment of cancer in the biomedical field.

Volatile and non-volatile compounds in green tea affected in harvesting time and their correlation to consumer preference.

Current study was designed to find out how tea harvesting time affects the volatile and non-volatile compounds profiles of green tea. In addition, correlation of instrumental volatile and non-volatile compounds analyses to consumer perception were analyzed. Overall, earlier harvested green tea had stronger antioxidant capacity (~61.0%) due to the polyphenolic compounds from catechin (23,164 mg/L), in comparison to later harvested green teas (11,961 mg/L). However, high catechin content in green tea influenced negatively the consumer likings of green tea, due to high bitterness (27.6%) and astringency (13.4%). Volatile compounds drive consumer liking of green tea products were also identified, that included linalool, 2,3-methyl butanal, 2-heptanone, (E,E)-3,5-Octadien-2-one. Finding from current study are useful for green tea industry as it provide the difference in physiochemical properties of green tea harvested at different intervals.

HS-23, a Lonicera japonica extract, reverses sepsis-induced immunosuppression by inhibiting lymphocyte apoptosis.

ETHNOPHARMACOLOGICAL RELEVANCE: Lonicera japonica Thunberg, a widely used traditional Chinese medicine, possesses antibacterial, antiviral, and antiendotoxin activities. This study investigated the molecular mechanisms of HS-23, the ethanol extract of the dried flower buds of L. japonica, on sepsis-induced immunosuppression. MATERIALS AND METHODS: Male ICR mice were intravenously administered HS-23 (10, 20, and 40mg/kg) immediately (0h) and 22h after cecal ligation and puncture (CLP). The spleen was isolated for biochemical assays 24h after CLP. RESULTS: HS-23 improved sepsis-induced mortality. CLP induced a marked decrease in the number of splenocytes, B cells, and natural killer cells, which was attenuated by HS-23. HS-23 also attenuated CLP-induced apoptosis in CD4(+) and CD8(+) T cells and inhibited both the intrinsic and extrinsic apoptotic pathway in the spleen. HS-23 attenuated the CLP-induced decrease in interleukin (IL)-17 production. CLP significantly decreased splenic production of tumor necrosis factor-α and IL-2, and these effects were attenuated by HS-23. CONCLUSION: Our findings suggest that HS-23 reverses immunosuppression during the late phase of sepsis by inhibiting lymphocyte apoptosis and enhancing Th1 cytokine production. HS-23 warrants further evaluation as a potential therapeutic agent for the treatment of sepsis.

Metabolism-mediated drug interaction potential of HS-23, a new herbal drug for the treatment of sepsis in human hepatocytes and liver microsomes.

HS-23, an extract of the dried flower buds of Lonicera japonica, is a new botanical drug currently being evaluated in a phase I clinical study in Korea for the treatment of sepsis. The in vitro induction and inhibition potentials of HS-23 on the drug-metabolizing enzymes using human hepatocytes and liver microsomes were assessed to evaluate herb-drug interaction according to botanical drug guideline and drug interaction guidance of FDA. HS-23 slightly inhibited CYP2A6, CYP2B6, CYP2C9, CYP2C19, and CYP3A4 enzyme activities in human liver microsomes with IC50 values of 80.6, 160.7, 169.5, 85.4, and 76.6 µg/mL, respectively. HS-23 showed negligible inhibition of CYP1A2, CYP2C8, CYP2D6, UGT1A1, UGT1A4, UGT1A9, and UGT2B7 activities in human liver microsomes. Based on these results, HS-23 may not inhibit the metabolism of CYP2A6, CYP2B6, CYP2C9, CYP2C19, and CYP3A4-catalyzed drugs in humans. HS-23 did not affect the mRNA expression of CYP1A2, CYP2B6, and CYP3A4 after 48 h treatment at three concentrations (0.5, 5, and 50 µg/mL) in three independent human hepatocytes, indicating that HS-23 has no effect on herb-drug interactions that up- or down-regulate CYP1A2, CYP2B6, and CYP3A4. These results indicate that the administration of HS-23 in human may not cause clinically relevant inhibition and induction of these cytochrome P450 (CYP) and UDP-glucuronosyltransferase (UGT) enzymes and HS-23 may be promising therapeutic agent for treatment of sepsis.

Magnolia officinalis attenuates free fatty acid-induced lipogenesis via AMPK phosphorylation in hepatocytes.

ETHNOPHARMACOLOGICAL RELEVANCE: Magnolia officinalis (MO) is a traditional Chinese herbal medicine that has been used in clinical practice to treat liver disease. The aim of this study is to examine the effects of MO on the development of nonalcoholic fatty liver in hepatocytes. MATERIALS AND METHODS: Human hepatoma-derived HepG2 cells and mouse normal FL83B hepatocytes were exposed to 0.5mM free fatty acids (FFAs; oleate:palmitate, 2:1) for 24h to simulate conditions of nonalcoholic fatty liver in vitro. The cells were treated with a standardized MO extract 1h prior to FFA exposure. RESULTS: MO pretreatment attenuated the increases in intracellular lipid accumulation and triglyceride content in FFA-exposed hepatocytes in a dose-dependent manner. MO pretreatment significantly inhibited both sterol regulatory element-binding protein (SREBP)-1c activation and increases in fatty acid translocase, fatty acid synthase, and stearoyl CoA desaturase-1 protein expression in FFA-exposed hepatocytes in a dose-dependent manner. MO pretreatment markedly induced adenosine monophosphate-activated protein kinase (AMPK) phosphorylation in hepatocytes. Compound C, an AMPK inhibitor, blocked the inhibitory effect of MO on the increases in intracellular lipid accumulation and triglyceride content induced by FFAs. In hepatocytes pretreated with compound C, MO failed to inhibit SREBP-1c activation and the increases in fatty acid translocase, fatty acid synthase, and stearoyl-CoA desaturase-1 protein expression induced by FFAs. CONCLUSIONS: Our results indicate that MO attenuates triglyceride biosynthesis and accumulation induced by FFAs in hepatocytes, suggesting its pharmacological potential for the prevention of nonalcoholic fatty liver disease. These effects may be mediated by the inhibition of SREBP-1c via AMPK phosphorylation.

HS-23, Lonicera japonica extract, attenuates septic injury by suppressing toll-like receptor 4 signaling.

ETHNOPHARMACOLOGICAL RELEVANCE: Lonicera japonica Thunberg is a traditional herbal medicine widely used in East Asia as an anti-bacterial, anti-inflammatory, and antiviral agent. This study was designed to investigate the effects of HS-23, ethanol extract of the dried flower buds of Lonicera japonica, in experimental models of sepsis and elucidate the mechanisms of action of HS-23. MATERIALS AND METHODS: Male ICR mice were intravenously administered HS-23 (20 and 40 mg/kg) for 0 (immediately) and 24 h after cecal ligation and puncture (CLP) for survival tests, and HS-23 (40 mg/kg) immediately after CLP for biochemical assays. RESULTS: HS-23 improved sepsis-induced mortality, enhanced bacterial clearance, and attenuated multiple organ failure. The mechanisms of action of HS-23 included attenuation of increased toll-like receptor (TLR)4 protein and mRNA expression. HS-23 suppressed sepsis-induced increases in protein expression of myeloid differentiation primary response protein 88, p38 and c-Jun N-terminal kinase in both liver and lung, as well as TIR-domain-containing adapter-inducing interferon-ß and interferon regulatory transcription factor 3 protein expression in liver. CONCLUSION: The results of this study revealed that HS-23 attenuated sepsis through suppression of TLR signaling pathways. Therefore, our findings suggest that HS-23 might be useful as a potential therapeutic agent for treatment of sepsis.

Tea creaming in nonfermented teas from Camellia sinensis and Ilex vomitoria.

Tea creaming is the development of a cloudy or hazy appearance in tea and ready-to-drink tea products on cooling and is highly undesirable in the tea beverage industry. Commonly associated with fermented black or oolong teas, the objective of this study was to investigate the physicochemical mechanism of the formation of tea cream in nonfermented green tea (Camellia sinensis) and a caffeine-containing botanical tea from yaupon holly (Ilex vomitoria) that is free of catechin-based polyphenolics. Four tea-creaming activators (phenolics, soluble protein, caffeine, and metal ions) were added to tea infusions as well as decaffeinated teas created by chloroform extraction. Tea-creaming activators increased the weight and turbidity of both teas with the exception of soluble protein addition (as bovine serum albumin) to green tea, whereas the greatest increase in turbidity occurred with the addition of metal ions in green tea. Tea creaming was equally developed at three incubation temperatures (4, 25, and 40 °C) in both teas, but tea-creaming compositions in each tea were different at the incubating temperatures. The antioxidant capacity of each tea was lowered after creaming due to the loss of antioxidants that participated in tea cream formation.

The impact of packaging materials on the antioxidant phytochemical stability of aqueous infusions of green tea (Camellia sinensis) and yaupon holly (Ilex vomitoria) during cold storage.

Ready to drink (RTD) teas are a growing segment in the beverage category, brought about by improvements in the flavor of these products and healthy market trends driven by consumers. The presented results evaluated the antioxidant phytochemical stability of RTD teas from aqueous infusions of traditional green tea (Camellia sinensis) and a botanical tea from yaupon holly (Ilex vomitoria) as influenced by packaging materials during cold storage. Two common packaging materials for RTD products are glass and polyethylene terephthalate (PET) and have been compared to a retortable pouch (RP), an emerging packaging material for various types of food since it is durable, inexpensive, lightweight, and easy to sterilize. Storage stability was then evaluated for each aqueous infusion prepared at 10 g/L at 90 °C for 10 min and evaluated at 3 °C in the absence of light over 12 weeks. Analyses included quantification and characterization of individual polyphenolics by high-performance liquid chromatography-photodiode array and liquid chromatography-electrospray ionization-mass spectrometry as well as changes in total antioxidant capacity. For green tea, concentrations of the three major flavan-3-ols, epigallocatechin gallate, epigallocatechin, and epicatechin gallate were better retained in glass bottles as compared to other packages over 12 weeks. In yaupon holly, chlorogenic acid and its isomers that were the predominant compounds were generally stable in each packaging material, and a 20.6-fold higher amount of saponin was found as compared to green tea, which caused higher stability of flavonol glycosides present in yaupon holly during storage. The antioxidant capacity of green tea was better retained in glass and PET versus RP, whereas no differences were again observed for yaupon holly. Results highlight the superiority of oxygen-impervious glass packaging, but viable alternatives may be utilizable for RTD teas with variable phytochemical compositions.

Flavonol-rich fractions of yaupon holly leaves (Ilex vomitoria, Aquifoliaceae) induce microRNA-146a and have anti-inflammatory and chemopreventive effects in intestinal myofibroblast CCD-18Co cells.

Polyphenolics extracted from yaupon holly (Ilex vomitoria, Aquifoliaceae) (YH) leaves were investigated in human colon cells for their chemopreventive and anti-inflammatory activities. An activity-guided fractionation allowed the selection of YH flavonol-rich fraction due to its preferential inhibition of HT-29 colon cancer viability over the normal CCD-18Co colon cells. Quercetin and kaempferol 3-rutinosides, main components identified in this fraction, protected CCD-18Co cells against reactive oxidative species (ROS) in part due to increased activity of antioxidant enzymes. In addition, up-regulation of microRNA-146a (miR-146a) known as a negative regulator of pro-inflammatory NF-κB activation was the underlying molecular mechanism that protected CCD-18Co from inflammation.

Highly enantioselective Pd-catalyzed allylic alkylation using new chiral ferrocenylphosphinoimidazolidine ligands.

New ferrocenylphosphinoimidazolidines containing central chirality and planar chirality were found to act as highly effective chiral ligands in Pd-catalyzed asymmetric allylic alkylation of 1,3-diphenyl-2-propenyl acetate with dimethyl malonate.