Publications by authors named "Shaonong Chen"

To date, quantitative analysis of proanthocyanidin (PAC) containing materials including plant extracts and fractions depends on colorimetric assays or phloroglucinolysis/thiolysis combined with UV-HPLC analysis. Such assays are of limited accuracy, particularly lack specificity, require extensive sample preparation and degradation, and need appropriate physical reference standards. To address this analytical challenge and toward our broader goal of developing new plant-sourced biomaterials that chemically and mechanically modulate the properties of dental tissue for clinical interventions, we have characterized 12 different PAC DESIGNER (Depletion and Enrichment of Select Ingredients Generating Normalized Extract Resources) materials.

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  • A new NMR-based method for identifying and quantifying amino acids was developed, utilizing both high-field (600 MHz) and benchtop (60 MHz) NMR instruments to analyze four amino acids and their salts.
  • The methodology demonstrated that key NMR parameters, like chemical shifts, remained consistent regardless of the magnetic field strength, while introducing an alternative identification technique using C NMR patterns from a specific type of NMR measurement (ed-HSQC) for clearer documentation.
  • The quantification of amino acid reference materials using a qNMR approach showed that the samples analyzed were generally of high purity, confirming the effectiveness of the developed techniques.
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Objective: Investigate the bioactivity and stability of Rhodiola rosea (RR) fractions as a natural source of prodelphinidin gallate (PDg) on dentin collagen via analysis of the viscoelastic and resin-dentin adhesive properties of the dentin matrix.

Methods: The biomimicry and stability of RR subfractions (F1, F2, F3 and F4) with collagen were determined by dynamic mechanical analysis (DMA). DMA used a strain sweep method to assess the dentin matrix viscoelastic properties [storage (E'), loss (E"), and complex (E*) moduli and tan δ] after treatment, 7-, 30- and 90-days of storage in simulated body fluids (SBF).

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  • - The study focuses on proanthocyanidins (PACs) with A-type linkages, which are rare in nature due to the complex biosynthesis needed to form them, but they offer enhanced structural rigidity compared to the more common B-type linkages.
  • - Previous research suggests that PACs with more double linkages, particularly B- and AB-type, interact more effectively with dentin type I collagen, making A-type PACs promising materials for enhancing dental treatments.
  • - The researchers utilized a chemical process to convert B-type PACs into A-type analogues and confirmed their structures through spectroscopy, finding that the type of linkages affects the flexibility and conformational energy of the PACs, which is important for their
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Flavan-3-ol monomers are the building blocks of proanthocyanidins (PACs), natural compounds from plants shown to mediate specific biologic activities on dentin. While the stereochemistry of the terminal flavan-3-ols, catechin (C) versus epicatechin (EC), impacts the biomechanical properties of the dentin matrix treated with oligomeric PACs, structure-activity relationships driving this bioactivity remain elusive. To gain insights into the modulatory role of the terminal monomers, two highly congruent trimeric PACs from Pinus massoniana only differing in the stereochemistry of the terminal unit (Trimer-C vs.

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Proanthocyanidins (PACs) are complex flavan-3-ol polymers with stunning chemical complexity due to oxygenation patterns, oxidative phenolic ring linkages, and intricate stereochemistry of their heterocycles and inter-flavan linkages. Being promising candidates for dental restorative biomaterials, trace analysis of dentin bioactive cinnamon PACs now yielded novel trimeric ( and ) and tetrameric () PACs with unprecedented - and benzoquinone motifs (benzoquinonoid PACs). Challenges in structural characterization, especially their absolute configuration, prompted the development of a new synthetic-analytical approach involving comprehensive spectroscopy, including NMR with quantum mechanics-driven H iterative functionalized spin analysis (HifSA) plus experimental and computational electronic circular dichroism (ECD).

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In botanical extracts, highly abundant constituents can mask or dilute the effects of other, and often, more relevant biologically active compounds. To facilitate the rational chemical and biological assessment of these natural products with wide usage in human health, we introduced the DESIGNER approach of Depleting and Enriching Selective Ingredients to Generate Normalized Extract Resources. The present study applied this concept to clinical Red Clover Extract (RCE) and combined phytochemical and biological methodology to help rationalize the utility of RCE supplements for symptom management in postmenopausal women.

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Breast cancer risk continues to increase post menopause. Anti-estrogen therapies are available to prevent postmenopausal breast cancer in high-risk women. However, their adverse effects have reduced acceptability and overall success in cancer prevention.

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Monoterpenoids are integral to the chemical composition of the widely used adaptogenic dietary supplement . The present study expands the chemical space and stereochemical information about these taxon-specific constituents from the isolation and characterization of five geraniol-derived glucosides, -. While and exhibited almost identical NMR spectra and shared the same 2D structure ascribed to the 4-hydroxygeraniolglucoside previously described as rosiridin, the NMR-based Mosher ester method revealed the enantiomeric nature of their aglycone moieties.

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  • Monoclonal antibody-drug conjugates (ADCs) are a promising therapeutic class, but there are limited methods for their purification, particularly for achieving a specific drug-to-antibody ratio.
  • Researchers have successfully applied countercurrent separation (CCS) for the first time to purify an ADC mimic using an aqueous two-phase system (ATPS) composed of specific components.
  • The study revealed different partitioning behaviors in the ATPS for the ADC mimic compared to its monoclonal antibody counterpart, suggesting new possibilities for separating high-molecular-weight biomolecules like ADCs.
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Investigation of a pine bark extract for bioactive proanthocyanidin oligomers resulted in the isolation of structurally related dimeric B-type procyanidin derivatives, -. This includes scalemic mixtures of gambiriin A1 () and A2 () and their newly described optical antipodes, -gambiriin A1 () and -gambiriin A2 (), respectively, as well as a racemic mixture of the newly described (-)gambiriin A5 (/). Furthermore, the study now fully characterizes the previously reported optically pure dimers gambiriin B1 () and gambirflavan D1 (), and characterized the novel B-type procyanidin trimer, (gambirifuran C1).

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Licorice, the roots and rhizomes of L., has been used as a medicinal herb, herbal adjuvant, and flavoring agent since ancient times. Recently, licorice extracts have become popular as dietary supplements used by females to alleviate menopausal symptoms.

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Four new rufomycins, compounds -, named rufomycins 56, 57, 58, and 61, respectively, exhibiting new skeletal features, were obtained from strain MJM3502 and were fully characterized. Compounds and possess a 4-imidazolidinone ring not previously encountered in this family of cyclopeptides, thereby resulting in a [5,17] bicyclic framework. The in vitro anti- potency of compounds and is remarkable, with minimum inhibitory concentration values of 8.

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To enable translational studies, a scalable preparative isolation scheme was developed for underivatized cocoa () proanthocyanidins (PACs), affording six all-B-type oligomeric PACs, including a new tetramer . Their structures, including absolute configuration, were unambiguously established by comprehensive spectroscopic and chemical methods. Evaluation of the PACs' dentin biomodification properties employed dynamic mechanical and infrared spectroscopic analyses in dentin bioassay models.

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Aim: Grape seed extract contains a complex mixture of proanthocyanidins (PACs), a plant biopolymer used as a biomaterial to improve reparative and preventive dental therapies. Co-polymerization of PACs with type I collagen mechanically reinforces the dentin extracellular matrix. This study assessed the biocompatibility of PACs from grape seed extract on dental pulp stem cells (DPSCs) in a model simulating leaching through dentin to the pulp cavity.

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The ICH guidelines recommend reporting thresholds for regular impurities in drug substances at the level of 0.05% or 0.03% (w/w) depending on the maximum daily intake.

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To enable the further exploration of structure-activity relationships (SARs) of proanthocyanidins (PACs) with dentin biomodification abilities, was selected for scaled-up purification of mixed A-/B-type, medium-size PAC oligomers. Sequential purification by centrifugal partition chromatography (CPC), Sephadex LH-20, and semiprep HPLC chromatography yielded four underivatized tetrameric (-) and two pentameric (-) PACs. Their unambiguous structural characterization involved extensive spectral and chemical degradation approaches to show that epicatechin units are connected by plant-specific combinations of doubly linked A- and singly linked B-type interflavanyl bonds.

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  • The study investigates the effects of cannabidiol (CBD) on SARS-CoV-2 infection, revealing that CBD inhibits the virus's replication in both cells and mice while not being effective like other cannabinoids such as THC.
  • CBD works by acting after the virus enters host cells, blocking viral gene expression and positively influencing host gene responses, particularly enhancing the IRE1α RNase ER stress response and interferon signaling pathways.
  • In human patient data, a significant negative relationship was found between CBD use and positive COVID-19 test results, suggesting potential for CBD as a preventative measure; however, the authors advise against using non-medical forms of CBD for treatment at this time.
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Much confusion exists about the chemical composition of widely sold products that utilize the cannabidiol (CBD) acronym and related terms such as "CBD oil", "CBD plus hemp oil", "full spectrum CBD", "broad spectrum CBD", and "cannabinoids". Their rational chemical and subsequent biological assessment requires both knowledge of the chemical complexity and the characterization of significant individual constituents. Applicable to hemp preparations in general, this study demonstrates how the combination of liquid-liquid-based separation techniques, NMR analysis, and quantum mechanical-based NMR interpretation facilitates the process of natural product composition analysis by allowing specific structural characterization and absolute quantitation of cannabinoids present in such products with a large dynamic range.

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Rufomycin and ilamycin are synonymous for the same class of cyclopeptides, currently encompassing 33 structurally characterized isolates and 9 semisynthetic derivatives. Elucidation of new structures prioritized the consolidation of the names and established the structures of four diastereoisomeric rufomycins with a 2-piperidinone, named rufomycins 4-7, including full H/C NMR assignments. The characteristic HSQC cross-peak for the CH-5, the hemiaminal carbon in amino acid #5, allows assignment of the stereocenters C-4 and C-5 within this ring.

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  • The study aimed to explore how the structure of proanthocyanidins (PACs) interacts with type I collagen in dentin by using various PACs with different degrees of polymerization.
  • Researchers used techniques like dynamic mechanical analysis and infrared spectroscopy to assess the effects of PACs on the mechanical properties of modified dentin.
  • Results showed that higher degrees of polymerization in PACs significantly improved the mechanical properties of dentin, with specific structural changes in collagen, highlighting key relationships between PAC structure and its effects on dentin.
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Off-line combination of countercurrent separation (CCS) and quantitative H NMR (qHNMR) methodologies enabled the systematic dissection and gravimetric quantification of a chemically complex crude extract (RCE). The loss-free nature and high selectivity of CCS achieved the quantitative discrimination of fatty acids (FAs), sugars, and proanthocyanidins (PACs) from ten other metabolite classes: phenylpropanoids, phenylethanoids, acyclic monoterpenoid glycosides, pinene derived glycosides, benzyl alcohol glycosides, cyanogenic glycosides, flavonoids, gallic acids, methylparabens, and cuminol glycosides. The ability of CCS to remove ("knockout") PACs completely resolved challenges with baselines that plague NMR and UHPLC analyses and produce inaccurate integral and AUC quantitation, respectively.

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Nontuberculous mycobacterial pulmonary infection is often aggravated due to antibiotic resistance issues. There is a need for development of new drugs inducing both host immune responses and antimicrobial activities. This study shows that the rufomycins 4/5/6/7 (Rufomycin 4-7), which targets ClpC1 as a subunit of caseinolytic protein complex ClpC1/ClpP1/ClpP2 of mycobacteria, exhibits a dual effect in host innate defense and antimicrobial activities against a rough morphotype of (Mabs-R), a clinically severe morphotype that causes hyperinflammation.

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The importance of Trifolium pratense L. as a dietary supplement and its use in traditional medicine prompted the preparation of a thorough metabolite profile. This included the identification and quantitation of principal constituents as well as low abundant metabolites that constitute the residual complexity (RC) of T.

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Plant-derived proanthocyanidins (PACs) mediate physicochemical modifications to the dentin extracellular matrix (ECM). The structure-activity relationships of PACs remain largely unknown, mostly due to the varied complex composition of crude extracts, as well as the challenges of purification and mechanistic assessment. To assess the role of galloylated PACs as significant contributors to high yet unstable biomodification activity to the dentin ECM, we removed the galloyl moieties (de-galloylation) via enzymatic hydrolysis from three galloyl-rich PAC-containing extracts (Camellia sinensis, Vitis vinifera, and Hamamelis virginiana).

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