Chemometric techniques for the prediction of milk composition from MIR spectral data: A review.

Chemometrics; use of statistical models to characterise and understand complex chemical systems/samples, is an advancing field. In the dairy industry, the accurate prediction of milk composition involves combining mid-infrared spectroscopy with chemometric techniques for the evaluation of major constituents of milk. The increased interest in determination of detailed composition of dairy products, alongside emerging and more-widespread use of chemometric methodologies, have generated continuous improvement in predictive models for this application.

Deciphering the Interplay: Thieno[2,3-]pyridine's Impact on Glycosphingolipid Expression, Cytotoxicity, Apoptosis, and Metabolomics in Ovarian Tumor Cell Lines.

Ovarian cancer is among the most prevalent causes of mortality among women. Despite improvements in diagnostic methods, non-specific symptoms and delayed gynecological exams can lead to late-stage ovarian tumor discovery. In this study, the effect of an anti-cancer compound, 3-amino--(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-]quinoline-2-carboxamide (Compound ), was examined.

Investigation Into Novel Mukanadin B, Mukanadin D and Mukanadin F Derivatives as Antagonists of 5-HT Signalling.

Marine bromopyrrole alkaloids are a diverse family of natural products with a large array of biological applications. The mukanadin family is a group of molecules consisting of seven members (mukanadin A-G) that possess a range of biological activities. Inhibition of serotonergic signaling has been demonstrated by mukanadin B derivatives, presenting this chemical scaffold as a candidate for further SAR exploration.

Insights into the relative contribution of four precursors to 3-sulfanylhexan-1-ol and 3-sulfanylhexylacetate biogenesis during fermentation.

The desirable wine aroma compounds 3-sulfanylhexan-1-ol (3SH) and 3-sulfanylhexyl acetate (3SHA) are released during fermentation from non-volatile precursors present in the grapes. This work explores the relative contribution of four precursors (E-2-hexenal, 3-S-glutathionylhexan-1-ol, 3-S-glutathionylhexanal, and 3-S-cysteinylhexan-1-ol) to 3SH and 3SHA. Through the use of isotopically labelled analogues of these precursors in defined fermentation media, new insights into the role of each precursor have been identified.

Integration and holistic analysis of multiple multidimensional soil data sets.

Complex matrices such as soil have a range of measurable characteristics, and thus data to describe them can be considered multidimensional. These characteristics can be strongly influenced by factors that introduce confounding effects that hinder analyses. Traditional statistical approaches lack the flexibility and granularity required to adequately evaluate such matrices, particularly those with large dataset of varying data types (i.

Antimicrobial fibres derived from aryl-diazonium conjugation of chitosan with Harakeke (Phormium tenax) and Hemp (Cannabis sativa) Hurd.

Surface functionalisation of natural materials to develop sustainable and environmentally friendly antimicrobial fibres has received great research interest in recent years. Herein, chitosan covalent conjugation via aryl-diazonium based chemistry onto Phormium tenax fibres (PTF) and hemp hurds (HH) was investigated. PTF are fibres derived from Harakeke/New Zealand flax, an indigenous and abundant plant source of leaf fibres, which served as an important 19th century export commodity of New Zealand.

Total Syntheses and Absolute Stereochemical Correction of Negundin B, Vitexin 1, and Vitexin 6.

A highly adaptable asymmetric synthetic route toward dihydronaphthalene lignans was developed, with its application to the syntheses of negundin B and vitexin 1/6 described herein. This developed pathway proceeded through an enantioselective aldol reaction to establish the contiguous stereocenters present in the final structures with subsequent functional group transformations yielding (-)-negundin B and (-)-vitexin 1/6. The enantioselective synthesis of vitexin 1/6 allowed the correction of absolute configuration, which has been widely incorrectly reported.

Total Synthesis of (-)-Amovillosumin A and Structure Correction of (-)-Amovillosumin C Using Chemical Synthesis.

Norlignans are a rare class of natural products isolated from a diverse range of plant species, many of which have interesting biological activities including antibacterial, antioxidant, phytotoxic, platelet aggregation inhibitory effects, and more. Isolated from (Amomi Fructus), amovillosumins A () and C () are norlignans which were of interest to synthesize, due to their interesting bioactivities, specifically their ability to increase stimulation of glucagon-like peptide-1 (GLP-1) secretion. In this research, key intermediate was used to stereoselectively synthesize (7,8)-amovillosumins A () and C ().

Wastewater-based Epidemiology to Investigate Spatio-Temporal Trends in Alcohol Consumption in Aotearoa, New Zealand.

Alcohol is an influential drug that has extensive societal impact. In Aotearoa New Zealand, there are a number of worrying trends related to alcohol consumption including rates of alcohol-related harm and violence and heavy episodic drinking. To understand and address these issues, alcohol consumption rates and related trends need to be understood.

A green liquid chromatography-tandem mass spectrometry method for the simultaneous analysis of volatile thiols and their precursors in oenological samples.

Improvements to the quantification of three white wine impact odorants 3-sulfanylhexan-1-ol, 3-sulfanylhexyl acetate, and 4-sulfanyl-4-methylpentan-2-one, and the non-volatile precursors from which they are released during fermentation, is of great interest to the wine science community. Recent reports of a "Quick, Easy, Cheap, Effective, Rugged and Safe" (QuEChERS) based method for the concurrent analysis of these thiols and their precursors via liquid chromatography tandem mass spectrometry (LC-MS/MS) has enabled the development of far simpler methods, as well as aligning these analyses with principles of green analytical chemistry. This current work reports the development and validation of a QuEChERS based LC-MS/MS method utilising a safer derivatising agent, 4,4'-dithiodipyridine, while greatly minimising the reagents involved and waste produced.

Synthesis and Anti-Proliferative Activity of 5-Benzoyl and 5-Benzylhydroxy Derivatives of 3-Amino-2-Arylcarboxamido-Thieno[2-3-]Pyridines.

3-Amino-2-arylcarboxamido-thieno[2-3-]pyridines have been previously described as having potent anti-proliferative activity against MDA-MB-231 and HCT116 cancer cell lines. The mechanism by which these molecules prevent cancer cell growth is proposed to be through interfering with phospholipid metabolism via inhibition of PI-PLC, along with other cellular processes. Previously, 5-cinnamyl derivatives of these thieno[2-3-]pyridines have been shown to have enhanced anti-proliferative activity compared to compounds lacking this moiety, indicating a tethered aromatic ring is important for this western region of the pharmacophore.

Synthesis of a novel isotopically labelled standard for quantification of γ-nonalactone in New Zealand Pinot noir via SIDA-SPE-GC-MS.

γ-Nonalactone is a linear aliphatic lactone ubiquitous in wine, associated with coconut, sweet, and stone fruit aroma descriptors. Little research has been conducted looking at the importance of this compound to New Zealand (NZ) wine aroma. HC-γ-Nonalactone, a novel isotopologue of γ-nonalactone, was synthesised in this work for use in a stable isotope dilution assay (SIDA) for quantification of γ-nonalactone in NZ Pinot noir wines for the first time.

Total Synthesis of Linear Coumarniolignoids (+) and (-)-Sapiumin C, (-)-Moluccanin, and (-)-Hemidesminine.

Coumarinolignoids (CLs) are a class of natural products isolated from a diverse range of plant species. Due to their unique structural scaffold, they exhibit a wide range of interesting biological activities including hepatoprotective, antitumor, anti-inflammatory, and antioxidant activities among others. In this research, key intermediate was used to stereoselectively synthesize CLs (7',8')- and (7',8')-sapiumin C and , (7',8')-moluccanin , and (7',8') hemidesminine for the first time, establishing a versatile synthetic method for the stereoselective synthesis of linear CLs.

Synthesis and antibacterial analysis of C-6 amino-functionalised chitosan derivatives.

Synthesis of 6-O-(3-alkylamino-2-hydroxypropyl) derivatives of chitosan was achieved using a four-step strategy of N-protection, O-epoxide addition, epoxide ring opening using an amine and N-deprotection. Benzaldehyde and phthalic anhydride were used for the N-protection step, producing N-benzylidene and N-phthaloyl protected derivatives, respectively, resulting in two corresponding final 6-O-(3-alkylamino-2-hydroxypropyl) derivative series, BD1-BD6 and PD1-PD14. All the compounds were characterized using FTIR, XPS and PXRD studies and tested for antibacterial efficacy.

Exploring the Equilibrium between Glut3SHal and Glut3SH-SO: A Method for the Quantification of These Compounds in Wine.

3-Gluthathionylhexanal (glut3SHal) is an early precursor to the important wine aroma compound 3-sulfanylhexan-1-ol (3SH), imparting tropical passion fruit aromas, even at trace concentrations. In wine, glut3SHal occurs in equilibrium with its bisulfite adduct (glut3SH-SO), challenging its quantification. To circumvent the issues encountered when attempting to describe the equilibrium between these compounds, a method for their quantification in wine samples was developed.

Investigation of 2-phenylimidazo[1,2-]quinolines as potential antiproliferative agents.

It has been demonstrated that the lead compound 2-phenylimidazo[1,2-]quinoline selectively inhibits CYP1 enzymes. Additionally, CYP1 inhibition has been linked to inducing antiproliferative effects in various breast cancer cell lines as well as relieving drug resistance caused by CYP1 upregulation. Herein, 54 novel analogs of 2-phenylimidazo[1,2-]quinoline have been synthesized with varied substitution on the phenyl and imidazole rings.

Synthesis and Anti-Proliferative Evaluation of Arctigenin Analogues with C-9' Derivatisation.

Dibenzylbutyrolactone lignans (DBLs) are a class of natural products with a wide variety of biological activities. Due to their potential for the development of human therapeutic agents, DBLs have been subjected to various SAR studies in order to optimise activity. Previous reports have mainly considered changes on the aromatic rings and at the benzylic carbons of the compounds, whilst the effects of substituents in the lactone, at the C-9' position, have been relatively unexplored.

Saturated Linear Aliphatic γ- and δ-Lactones in Wine: A Review.

Saturated linear aliphatic lactones are widespread aroma compounds in wine, linked to stone fruit, dried red fruit, and coconut descriptors. Despite their ubiquity, bioproduction pathways associated with these compounds in wine are unclear, but higher concentrations have been linked to many common vitivinicultural practices, including grape variety, microbiological influence, oak- and bottle-aging, and wine styles such as late harvest, noble rot, and icewine. Development of analytical techniques has enabled increasingly accurate quantification of lactones in wine, shedding more light on their potential origins.

Characterization of polysulfides in Saccharomyces cerevisiae cells and finished wine from a cysteine-supplemented model grape medium.

Polysulfide degradation in wine can result in hydrogen sulfide (HS) release, imparting a rotten-egg smell that is detrimental to wine quality. Although the presence of wine polysulfides has been demonstrated, their biogenesis remains unclear. This study investigated the role of Saccharomyces cerevisiae in polysulfide formation during fermentation, with and without 5 mM cysteine supplementation as an HS source.

Novel Thieno [2,3-]pyridine Anticancer Compound Lowers Cancer Stem Cell Fraction Inducing Shift of Lipid to Glucose Metabolism.

Due to the role of cancer stem cells (CSCs) in tumor resistance and glycosphingolipid (GSL) involvement in tumor pathogenesis, we investigated the effect of a newly synthesized compound (3-amino--(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-]quinoline-2-carboxamide on the percentage of CSCs and the expression of six GSLs on CSCs and non-CSCs on breast cancer cell lines (MDA-MB-231 and MCF-7). We also investigated the effect of on the metabolic profile of these cell lines. The MTT assay was used for cytotoxicity determination.

Effects of Neutral, Anionic and Cationic Polymer Brushes Grafted from Poly(para-phenylene vinylene) and Poly(para-phenylene ethynylene) on the Polymer's Photoluminescent Properties.

The conformation of a fluorescent polymer, in the solid state or in solution, plays a critical role in the polymer's fluorescent properties. Thus, grafted side chains on a fluorescent polymer can directly influence its optical properties. In this study, the effect of grafted polymeric side chains on the photoluminescent properties of poly(para-phenylene vinylene) (PPV) and poly(para-phenylene ethynylene) (PPE) were investigated.

Unraveling the Mystery of 3-Sulfanylhexan-1-ol: The Evolution of Methodology for the Analysis of Precursors to 3-Sulfanylhexan-1-ol in Wine.

Volatile polyfunctional thiol compounds, particularly 3-sulfanylhexan-1-ol (3SH) and 3-sulfanylhexyl acetate (3SHA), are key odorants contributing to the aroma profile of many wine styles, generally imparting tropical grapefruit and passionfruit aromas. 3SH and 3SHA are present in negligible concentrations in the grape berry, juice, and must, suggesting that they are released from non-volatile precursors present in the grape. The exploration of the nature and biogenesis of these precursors to 3SH and 3SHA has proven important for the elucidation of polyfunctional thiol biogenesis during alcoholic fermentation.

Attempts to Create Products with Increased Health-Promoting Potential Starting with Pinot Noir Pomace: Investigations on the Process and Its Methods.

A process for using grape (Pinot noir) pomace to produce products with improved health-promoting effects was investigated. This process integrated a solid-liquid extraction (SLE) method and a method to acylate the polyphenolics in the extract. This report describes and discusses the methods used, including the rationale and considerations behind them, and the results obtained.

Identification of herbivore-induced plant volatiles from selected Rubus species fed upon by raspberry bud moth (Heterocrossa rubophaga) larvae.

Heterocrossa rubophaga (raspberry bud moth) feed on a range of Rubus species, including commercial berryfruit crops where they are a pest. This study aimed to characterize the responses of native and non-native Rubus species to feeding by raspberry bud moth larvae. In a laboratory environment, in situ headspace volatiles of three Rubus species were collected from healthy plants and those fed upon by raspberry bud moth.

Conducting Polymer-Coated Carbon Cloth Captures and Releases Extracellular Vesicles by a Rapid and Controlled Redox Process.

Electrochemical techniques offer great opportunities for the capture of chemical and biological entities from complex mixtures and their subsequent release into clean buffers for analysis. Such methods are clean, robust, rapid, and compatible with a wide range of biological fluids. Here, we designed an electrochemically addressable system, based on a conducting terpolymer [P(EDOTEDOTSAcEDOTEG)] coated onto a carbon cloth substrate, to selectively capture and release biological entities using a simple electrochemical redox process.