A novel organic acids-targeted colorimetric sensor array for the rapid discrimination of origins of Baijiu with three main aroma types.

Given the severe problem of Baijiu authenticity, it is essential to discriminate Baijiu from different origins quickly and effectively. As organic acids (OAs) are the most dominant taste-imparting substances in Baijiu, we proposed a simple, fast, and effective OAs-targeted colorimetric sensor array based on the colorimetric reaction of 4-aminophenol (AP)/4-amino-3-chlorophenol (ACP) under oxidation of Cu(NO3)2 for the rapid discrimination of origins of Baijiu with three main aroma types. Hydrogen ions ionized from OAs induced the protonation of the amino group, which blocked the colorimetric reaction, and the different levels of OAs in Baijiu enabled the array to discriminate different origins of Baijiu. The array was implemented to analyze 10 simple OAs and 16 mixed OAs and further for the discrimination of 42 Baijius with an accuracy of 98%. This method provided an efficient research strategy for a basis for rapid quality analysis of Baijiu.

Three-dimensional fluorescence combined with alternating trilinear decomposition and random forest algorithm for the rapid prediction of species, geographical origin and main components of Glycyrrhizae Radix et Rhizoma (Gancao).

Glycyrrhizae Radix et Rhizoma (Gancao) is a functional food whose quality varies significantly between distinct geographical sources owing to the influence of genetics and the geographical environment. This study employed three-dimensional fluorescence coupled with alternating trilinear decomposition (ATLD) and random forest (RF) algorithms to rapidly predict Gancao species, geographical origins, and primary constituents. Seven fluorescent components were resolved from the three-dimensional fluorescence of the ATLD for subsequent analysis. Results indicated that the RF model distinguished Gancao from various species and origins better than other algorithms, achieving an accuracy of 94.4 % and 88.9 %, respectively. Furthermore, the RF regressor algorithm was used to predict the concentrations of liquiritin and glycyrrhizic acid in Gancao, with 96.4 % and 95.6 % prediction accuracies compared to HPLC, respectively. This approach offers a novel means of objectively evaluating the origin of food and holds substantial promise for food quality assessment.

Rapid visual detection of sulfur dioxide residues in food using acid-sensitive CdTe quantum dots-loaded alginate hydrogel beads.

Acid-sensitive CdTe quantum dots-loaded alginate hydrogel (CdTe QDs-AH) beads were designed for the visual detection of SO2 residues. As proof of concept, two types of CdTe QDs were selected as model probes and embedded in AH beads. The entire test was performed within 25 min in a modified double-layer test tube with one bead fixed above the sample solution. Adding citric acid and heating at 70 ℃ for 20 min transformed the sulfites in the solution into SO2 gas, which then quenched the fluorescence of the CdTe QDs-AH beads. Using this assay, qualitative, naked-eye detection of SO2 residues was achieved in the concentration range of 25-300 ppm, as well as precise quantification was possible based on the difference in the average fluorescence brightness of the beads before and after the reaction. Five food types were successfully analysed using this method, which is simpler and more economical than existing methods, and does not require complex pretreatment.

Nano effect fluorescence visual sensor based on Au-AgNCs: A novel strategy to identify the origin and growth year of Lilium bulbs.

In this study, we developed a cost-effective fluorescence visual sensor strategy based on gold and silver nanocluster (Au-AgNCs) for the rapid identification of the origins and growth years of Lilium bulbs (LB). Au-AgNCs combined with catechins in LB produce aggregation-induced emission (AIE). The catechin content in LB of different origins and growth years varied, resulting in different fluorescence color responses of the sensor system. Furthermore, the RGB values of the fluorescent color were extracted, and the discriminant effect of visual visualisation was verified using the data-driven soft independent modelling of class analogy (DD-SIMCA) and partial least squares discriminant analysis (PLSDA) models. The results showed that the accuracy of DD-SIMCA for identifying LB origins and PLSDA for growth year identification was 100%. These results indicated that the established strategy could accurately identify the quality of LB, which has great potential for application in the rapid and visual identification of other foods.

Uncovering the roles of DNA hemi-methylation in transcriptional regulation using MspJI-assisted hemi-methylation sequencing.

Hemi-methylated cytosine dyads widely occur on mammalian genomic DNA, and can be stably inherited across cell divisions, serving as potential epigenetic marks. Previous identification of hemi-methylation relied on harsh bisulfite treatment, leading to extensive DNA degradation and loss of methylation information. Here we introduce Mhemi-seq, a bisulfite-free strategy, to efficiently resolve methylation status of cytosine dyads into unmethylation, strand-specific hemi-methylation, or full-methylation. Mhemi-seq reproduces methylomes from bisulfite-based sequencing (BS-seq & hpBS-seq), including the asymmetric hemi-methylation enrichment flanking CTCF motifs. By avoiding base conversion, Mhemi-seq resolves allele-specific methylation and associated imprinted gene expression more efficiently than BS-seq. Furthermore, we reveal an inhibitory role of hemi-methylation in gene expression and transcription factor (TF)-DNA binding, and some displays a similar extent of inhibition as full-methylation. Finally, we uncover new hemi-methylation patterns within Alu retrotransposon elements. Collectively, Mhemi-seq can accelerate the identification of DNA hemi-methylation and facilitate its integration into the chromatin environment for future studies.

Authenticity identification of high - Temperature Daqu Baijiu through multi-channel visual array sensor of organic dyes combined with smart phone App.

High - temperature Daqu Baijiu faces a challenge from illegal adulteration of high-grade Baijiu bottles with low-grade Baijiu, affecting its quality and value. This study developed a rapid identification method for high temperature Daqu Baijiu with the same aroma type using a four-channel visual array sensor and detection of color changes caused by competition coordination with Zn2+ and color-changing organic dyes. The array sensor demonstrated high stability and repeatability in targeting flavor components and achieved 97.78 % or more accuracy combined with DD-SIMCA model in detecting adulteration across the Baijiu with same aroma type. The results of GC-MS and Quantum Chemical Calculation showed that esters, acids, and pyrazines played a crucial role. The smart phone App could quickly identify the authenticity of Baijiu with accuracy achieved 93 %. This research provides a foundation for rapid and reliable assessment of Baijiu quality and authenticity, enabling the industry to combat fraudulent practices effectively.

A novel 3D-fluorescence sensing strategy based on HN-chitosan polymer probe for rapid identification and quantification of potential adulteration in saffron.

Saffron is a candidate for various kinds of fraud to make huge profits. The present study proposed an efficient three-dimensional (3D) fluorescence sensing strategy based on hydrophilic hydrazine-naphthalimide functionalized chitosan (HN-chitosan) polymer probe for rapid identification and quantification of potential adulteration in saffron. The amino functional group in the HN-chitosan probe reacted specifically with the Oxygen-containing group of active ingredients in saffron, amplifying the signal difference between saffron and the adulterants, which was comprehensively characterized by 3D fluorescence. Four advanced chemometrics methods were applied for the classification of saffron and adulterated saffron, and good performance were obtained in both training and prediction sets. Furthermore, the PLS regression model was applied to the prediction of adulteration level in saffron and showed satisfactory accuracy. This strategy provides a new solution for rapid identification and quantification of potential adulteration in saffron, which contributes to the healthy development of its industry.

Investigating pioneer factor activity and its coordination with chromatin remodelers using integrated synthetic oligo assay.

Chromatin accessibility is regulated by pioneer factors (PFs) and chromatin remodelers (CRs). Here, we present a protocol, based on integrated synthetic oligonucleotide libraries in yeast, to systematically interrogate the nucleosome-displacing activities of PFs and their coordination with CRs. We describe steps for designing oligonucleotide sequences, constructing yeast libraries, measuring nucleosome configurations, and data analyses. This approach potentially can be adapted for use in higher eukaryotes to investigate the activities of many types of chromatin-associated factors. For complete details on the use and execution of this protocol, please refer to Yan et al.,1 and Chen et al.2.

Highly selective detection of epinephrine by a "turn-off" fluorescent sensor based on N-doped carbon quantum dots.

Epinephrine (EP) is a catecholamine hormone with a variety of physiological activities. Monitoring the concentration of EP in drugs, food, biological samples and cosmetics is of great significance for their quality control. Herein, a novel fluorescence sensing method was designed for the high-specificity detection of EP based on N-doped carbon quantum dots (N-CDs). The EP could interact with the fluorescent senor of N-CDs which emits blue fluorescence to produce concentration- dependent fluorescence quenching through the photo-induced electron transfer (PET). The established sensing method has good linearity in the range of 0.5-10 µM with the LOD of 0.15 µM. More importantly, it is highly selective because similar components with phenolic hydroxyl groups or primary amino groups, even norepinephrine (NEP), could not interfere with the detection. This method can provide a low-cost, rapid and simple new way for the detection of EP, and has a good application prospect in point-of-care assay and in situ test.

Classification of Chinese traditional cereal vinegars and antioxidant property predication by fluorescence spectroscopy.

In this work, a rapid and accurate strategy for classification of Chinese traditional cereal vinegars (CTCV) and antioxidant property predication was proposed by using the combination fluorescence spectroscopy and machine learning. Three characteristic fluorescent components were extracted by parallel factor analysis (PARAFAC), which have correlations greater than 0.8 with antioxidant activity of CTCV obtained by Pearson correlation analysis. Machine learning methods, including linear discriminant analysis (LDA), partial least squares-discriminant analysis (PLS-DA) and N-way partial least squares discriminant analysis (N-PLS-DA), were used for the classification of different types of CTCV, and the correct classification rates was higher than 97%. The antioxidant property of CTCV were further quantified by using optimized variable-weighted least-squares support vector machine based on particle swarm optimization (PSO-VWLS-SVM). The proposed strategy provides a basis for further research on antioxidant active ingredients and antioxidant mechanisms of CTCV, and enable the continued exploration and application of CTCV from different types.

Basic helix-loop-helix pioneer factors interact with the histone octamer to invade nucleosomes and generate nucleosome-depleted regions.

Nucleosomes drastically limit transcription factor (TF) occupancy, while pioneer transcription factors (PFs) somehow circumvent this nucleosome barrier. In this study, we compare nucleosome binding of two conserved S. cerevisiae basic helix-loop-helix (bHLH) TFs, Cbf1 and Pho4. A cryo-EM structure of Cbf1 in complex with the nucleosome reveals that the Cbf1 HLH region can electrostatically interact with exposed histone residues within a partially unwrapped nucleosome. Single-molecule fluorescence studies show that the Cbf1 HLH region facilitates efficient nucleosome invasion by slowing its dissociation rate relative to DNA through interactions with histones, whereas the Pho4 HLH region does not. In vivo studies show that this enhanced binding provided by the Cbf1 HLH region enables nucleosome invasion and ensuing repositioning. These structural, single-molecule, and in vivo studies reveal the mechanistic basis of dissociation rate compensation by PFs and how this translates to facilitating chromatin opening inside cells.

Determination of geographical origin for Atractylodes macrocephala Koidz by stable isotope and multielement analyses combined with chemometrics.

Atractylodes macrocephala Koidz (AMK) is an expensive edible Chinese herb with medicinal properties. Its economic value and medicinal properties are closely related to its geographical origin. In this study, a method based on stable isotopes and multiple elements combined with chemometrics was developed to identify the geographical origin of AMK. Five stable isotope ratios, including δ2 H, δ18 O, δ13 C, δ15 N, and δ34 S, and 41 elements in 281 AMK samples from 10 regions were analyzed. An analysis of variance of stable isotope ratios and elements revealed that the δ2 H, δ18 O, Mg, Ca, and rare-earth element concentrations in AMK from different geographical regions were significantly different. Orthogonal partial least squares discriminant analysis proved that Ca, K, Mg, and Na can be used for classifying (variable importance >1) and accurately identifying AMK from Panan, Xianfeng, and other areas with 100% discrimination accuracy. In addition, we achieved a good identification of protected geographic indication products of similar quality. This method realized the geographical discrimination of AMK from different producing areas and could potentially control the fair trade of AMK. PRACTICAL APPLICATION: The quality of AMK is highly dependent on its geographical origin. Confusion over the origin of AMK impacts consumer rights. This study developed an accurate and effective classification method based on stable isotopes and multiple elements to ascertain the geographical origin of AMK, thereby providing an effective method for determining its quality.

A sensitive fluorescence sensor based on a glutathione modified quantum dot for visual detection of copper ions in real samples.

Copper (Cu2+), as a heavy metal, accumulates in the human body to a certain extent, which can induce various diseases and endanger human health. Rapid and sensitive detection of Cu2+ is highly desired. In present work, a glutathione modified quantum dot (GSH-CdTe QDs) was synthesized and applied in a "turn-off" fluorescence probe to detect Cu2+. The fluorescence of GSH-CdTe QDs could be rapidly quenched in the presence of Cu2+ through aggregation-caused quenching (ACQ), resulting from the interaction between the surface functional groups of GSH-CdTe QDs and Cu2+ and the electrostatic attraction. In the range of 20-1100 nM, the Cu2+ concentration showed a good linear relationship with the fluorescence decline of the sensor, and the LOD is 10.12 nM, which was lower than the U.S. Environmental Protection Agency (EPA) defined limit (20 µM). Moreover, aiming to attain visual analysis, colorimetric method was also used for rapidly detecting Cu2+ by capturing the change in fluorescence color. Interestingly, the proposed approach has successfully been applied for the detection of Cu2+ in real samples (i.e., environment water, food and traditional Chinese medicine) with satisfactory results, which provides a promising strategy for the detection of Cu2+ in practical application with the merits of being rapid, simple and sensitive.

UHPLC-QTOF-MS-based untargeted metabolomics and mineral element analysis insight into the geographical differences of Chrysanthemum morifolium Ramat cv. "Hangbaiju" from different origins.

Chrysanthemum morifolium Ramat cv. "Hangbaiju" (HBJ), known as one of the "eight flavors of Zhejiang", is commonly used as a classical tea material for both food and medicine over three thousand years in China. The quality of HBJ is closely related to its geographical origins. However, the mechanism underlying the geographical differences of HBJ remains to be elucidated. In this study, an untargeted metabolomic strategy based on UHPLC-QTOF-MS was established to discover the differential metabolites in HBJ samples from four different origins and explore the possible relationship with mineral elements in planting soils by chemometric analysis. Eight compounds were screened and identified as the key differential metabolites in HBJ samples from different origins. Among them, four important pharmacodynamic compounds including L-arginine, rutin, chlorogenic acid and apigenin-7-O-glucoside are the most abundant in HBJ samples from Tongxiang region, which suggests that HBJ planted in Tongxiang has higher medicinal values. Pearson correlation analysis revealed that the contents of soil mineral elements are positively correlated with those of chlorogenic acid, rutin, apigenin-7-O-glucoside in HBJ samples. Furthermore, an interrelationship model based on random forest algorithm was established to successfully predict the contents of differential metabolites in HBJ samples by soil mineral elements. All these results indicated that the contents of differential metabolites in HBJ samples seemed to be affected by soil mineral elements and therefore resulted in the geographical differences of HBJ.

Fast and non-destructive discriminating the geographical origin of Hangbaiju by hyperspectral imaging combined with chemometrics.

Hangbaiju is highly appreciated flower tea for its health benefits, and its quality and price are affected by geographical origin. Fast and accurate identification of the geographical origin of Hangbaiju is very significant for producers, consumers and market regulators. In this work, hyperspectral imaging combined with chemometrics, was used, for the first time, to explore and implement the geographical origin classification of Hangbaiju. The hyperspectral images in the spectral range of 410-2500 nm for 75 samples of five different origins were collected. As a versatile chemometrics tool, bagging classification tree-radial basis function (BAGCT-RBFN), compared with classification tree (CT), radial basis function network (RBFN), was applied to discriminate Hangbaiju samples from different origins. The results showed that BAGCT-RBFN based on optimal wavelengths yielded superior classification performances to CT and RBFN with full wavelengths. The recognition rates (RR) of the training and prediction sets by BAGCT-RBFN were 96.0 % and 92.0 %, respectively. Hyperspectral imaging combined with chemometric can be considered as a powerful, feasible and convenient tool for the classification of Hangbaiju samples from different origins. It promises to be a potential way for origin discriminant analysis and quality monitor in food fields.

A novel simultaneous quantitative method for differential volatile components in herbs based on combined near-infrared and mid-infrared spectroscopy.

A novel method based on GC-MS, near-infrared (NIR) and mid-infrared (MIR) spectroscopy combined with chemometrics was established to simultaneously analyze differential volatile components (DVCs) of herb samples. Herein, Florists Chrysanthemum was adopted as the representative sample. Through the introduction of Automatic data analysis workflow (AntDAS) and one-class partial least squares discriminant analysis (O-PLSDA) model, five kinds of terpenes and five kinds of alcohols were efficiently screened as DVCs. By using the selected NIR-MIR spectra sections combined with O-PLSDA, it could achieve the accurate identification of Florists Chrysanthemum from Chrysanthemum morifolium Ramat. What's more, since the selected spectra sections were closely related to the structural and content of DVCs, they could be further used for simultaneous quantitative analysis of DVCs combined with optimized variable-weighted least-squares support vector machine based on particle swarm optimization (PSO-VWLS-SVM). This method only adopted the same NIR-MIR sections for multiple component accurate quantification, highlighting its convenience.

Colorimetric assay based on peroxidase-like activity of dodecyl trimethylammonium bromide-tetramethyl zinc (4-pyridinyl) porphyrin for detection of organophosphorus pesticides.

A simple and sensitive colorimetric assay for detecting organophosphorus pesticides (OPs) was developed based on 3,3',5,5'-tetramethylbenzidine (TMB)/hydrogen peroxide (H2O2)/dodecyl trimethylammonium bromide (DTAB)-tetramethyl zinc (4-pyridinyl) porphyrin (ZnTPyP). In this system, based on the peroxidase-like activity of DTAB-ZnTPyP, H2O2 decomposes to produce hydroxyl radicals, which oxidize TMB, resulting in blue oxidation products. The OPs (trichlorfon, dichlorvos, and thimet) were first combined with DTAB-ZnTPyP through electrostatic interactions. The OPs caused a decrease in the peroxidase-like activity of DTAB-ZnTPyP due to spatial site blocking. At the same time, π-interactions occurred between them, and these interactions also inhibited the oxidation of TMB (652 nm), thus making the detection of OPs possible. The limits of detection for trichlorfon, dichlorvos, and thimet were 0.25, 1.02, and 0.66 µg/L, respectively, and the corresponding linear ranges were 1-35, 5-45, and 1-40 µg/L, respectively. Moreover, the assay was successfully used to determine OPs in cabbage, apple, soil, and traditional Chinese medicine samples (the recovery ratios were 91.8-109.8%), showing a great promising potential for detecting OPs also in other complex samples.

Chemistry Combining Elemental Profile, Stable Isotopic Ratios, and Chemometrics for Fine Classification of a Chinese Herb Licorice (Glycyrrhiza uralensis Fisch.) from 37 Producing Area.

A method based on elemental fingerprint, stable isotopic analysis and combined with chemometrics was proposed to trace the geographical origins of Licorice (Glycyrrhiza uralensis Fisch) from 37 producing areas. For elemental fingerprint, the levels of 15 elements, including Ca, Cu, Mg, Pb, Zn, Sr, Mn, Se, Cd, Fe, Na, Al, Cr, Co, and K, were analyzed by inductively coupled plasma atomic emission spectrometry (ICP-AES). Three stable isotopes, including δ 13C, δ 15N, and δ 18O, were measured using an isotope-ratio mass spectrometer (IRMS). For fine classification, three multiclass strategies, including the traditional one-versus-rest (OVR) and one-versus-one (OVO) strategies and a new ensemble strategy (ES), were combined with two binary classifiers, partial least squares discriminant analysis (PLSDA) and least squares support vector machines (LS-SVM). As a result, ES-PLSDA and ES-LS-SVM achieved 0.929 and 0.921 classification accuracy of GUF samples from the 37 origins. The results show that element fingerprint and stable isotope combined with chemometrics is an effective method for GUF traceability and provides a new idea for the geographical traceability of Chinese herbal medicine.

Partitioned usage of chromatin remodelers by nucleosome-displacing factors.

Nucleosome-displacing-factors (NDFs) in yeast, similar to pioneer factors in higher eukaryotes, can open closed chromatin and generate nucleosome-depleted regions (NDRs). NDRs in yeast are also affected by ATP-dependent chromatin remodelers (CRs). However, how NDFs and CRs coordinate in nucleosome invasion and NDR formation is still unclear. Here, we design a high-throughput method to systematically study the interplay between NDFs and CRs. By combining an integrated synthetic oligonucleotide library with DNA methyltransferase-based, single-molecule nucleosome mapping, we measure the impact of CRs on NDRs generated by individual NDFs. We find that CRs are dispensable for nucleosome invasion by NDFs, and they function downstream of NDF binding to modulate the NDR length. A few CRs show high specificity toward certain NDFs; however, in most cases, CRs are recruited in a factor-nonspecific and NDR length-dependent manner. Overall, our study provides a framework to investigate how NDFs and CRs cooperate to regulate chromatin opening.

Digital image colorimetry in combination with chemometrics for the detection of carbaryl based on the peroxidase-like activity of nanoporphyrins and the etching process of gold nanoparticles.

Carbaryl is a typical carbamate pesticide that plays an essential role in agricultural production, but its residues cause serious harm to the environment and human health. Here, we developed a polychromatic colorimetric sensor based on ZnTPyP-DTAB peroxidase activity and gold nano-bipyramids (Au NBPs) etching to detect carbaryl. ZnTPyP-DTAB catalyzes the decomposition of H2O2 to hydroxyl radicals, and Au NBPs are etched. The coordination of zinc and nitrogen in nanometer porphyrins was affected by the steric effects of carbaryl, which resulted in decreased activity of ZnTPyP-DTAB peroxidase. The detection limit of carbaryl was 0.26 mg/kg. The recoveries of carbaryl in reaal sample ranged from 91 % to 107% (RSD ≤ 0.7%). The sensor platform displayed a series of high-resolution multicolor variations of rainbow colors within the above concentration range. The rich color variation facilitates the acquisition of digital images. RGB value transformation combined with partial least squares regression model can accurately and quantitatively detect carbaryl in vegetables, fruits and Chinese medicinal materials.