Chemical Analysis Research Articles

Investigation of piezoelectric printing devices for oil-free and on-demand picolitre monodisperse droplet generation

Picolitre monodisperse droplet printing technology has important applications in biochemistry, such as accounting for quantitative analysis and single-cell analysis, and can be used for parallel high-throughput analysis of biomarkers and chemicals. However, commonly used droplet generation devices require complex control systems or customised microfluidic chips, making them costly and difficult for researchers to operate. Additionally, generating picolitre monodisperse droplets with microfluidic devices necessitates the introduction of an oil phase to block and separate the liquid. This requirement can reduce the throughput of the target droplets and cause cell contamination, hindering the adoption of this technology. By employing a common 1-mm-diameter capillary in the laboratory in combination with a piezoelectric transducer, we have achieved on-demand picolitre droplet printing of less than 100 pL in an oil-free environment. The device was found to be biocompatible with K562 cells. This approach is less costly, offers greater operational freedom, and is easier to integrate with other downstream assay modules or even handheld cell-printing devices. This study holds great potential for application in areas such as single-cell analysis, cell sampling, and pharmaceutical analysis.

Experimental investigation on microstructure, mechanical and optical properties of RB-SiC ablated by nanosecond pulsed laser in nitrogen atmosphere

Reaction-bonded silicon carbide (RB-SiC) has gained significant attention owing to its exceptional physical and chemical properties. Improving the photovoltaic efficiency and mechanical properties of RB-SiC is conducive to further enhancing its applicability. Laser gas nitriding is an effective strategy to simultaneously reduce the surface reflectivity and enhance the surface hardness of materials. Accordingly, the evolution of microstructure, mechanical and optical properties of RB-SiC composite ablated by nanosecond pulsed laser in nitrogen atmosphere was comprehensively investigated. After laser gas nitriding, the surface hardness of RB-SiC composite was increased by 10.6–44.6 %. The chemical composition analysis indicated that Si-based nitride was formed on the laser-ablated surface, which was mainly responsible for the hardness enhancement. Additionally, the reflectivity of the laser-ablated surface was reduced by up to 95.2 % compared to the original RB-SiC composite. This study provides a straightforward and effective method to simultaneously improve the mechanical and optical properties of RB-SiC composites.

Advanced functional materials as reliable tools for capturing food-derived peptides to optimize the peptidomics pre-treatment enrichment workflow.

Peptidomics strategies with high throughput, sensitivity, and reproducibility are key tools for comprehensively analyzing peptide composition and potential functional activities in foods. Nevertheless, complex signal interference, limited ionization efficiency, and low abundance have impeded food-derived peptides' progress in food detection and analysis. As a result, novel functional materials have been born at the right moment that could eliminate interference and perform efficient enrichment. Of note, few studies have focused on developing peptide enrichment materials for food sample analysis. This work summarizes the development of endogenous peptide, phosphopeptide, and glycopeptide enrichment utilizing materials that have been employed extensively recently: organic framework materials, carbon-based nanomaterials, bio-based materials, magnetic materials, and molecularly imprinted polymers. It focuses on the limitations, potential solutions, and future prospects for application in food peptidomics of various advanced functional materials. The size-exclusion effect of adjustable aperture and the modification of magnetic material enhanced the sensitivity and selectivity of endogenous peptide enrichment and aided in streamlining the enrichment process and cutting down on enrichment time. Not only that, the immobilization of metal ions such as Ti4+ and Nb5+ enhanced the capture of phosphopeptides, and the introduction of hydrophilic groups such as arginine, L-cysteine, and glutathione into bio-based materials effectively optimized the hydrophilic enrichment of glycopeptides. Although a portion of the carefully constructed functional materials currently only exhibit promising applications in the field of peptide enrichment for analytical chemistry, there is reason to believe that they will further advance the field of food peptidomics through improved pre-treatment steps.

Low-cost heat assisted ambient ionization source for mass spectrometry in food and pharmaceutical screening.

Ambient Ionization Mass Spectrometry (AI-MS) techniques have revolutionized analytical chemistry by enabling rapid analysis of samples under atmospheric conditions with minimal to no preparation. In this study, the optimization of a cold atmospheric plasma for the analysis of food and pharmaceutical samples, liquid and solid, using a Heat-Assisted Dielectric Barrier Discharge Ionization (HA-DBDI) source is described. A significant enhancement in analyte signals was observed when a heating element was introduced into the design, potentially allowing for greater sensitivity. Furthermore, the synergy between the inlet temperature of the mass spectrometer and the heating element allows for precise control over the analytical process, leading to improved detection sensitivity and selectivity. Incorporating computational fluid dynamic (CFD) simulations into the study elucidated how heating modifications can influence gas transport properties, thereby facilitating enhanced analyte detection and increased signal intensity. These findings advance the understanding of HA-DBDI technology and provide valuable insights for optimizing AI-MS methodologies for a wide range of applications in food and pharmaceutical analysis.

Enhancing Kinase Activity Detection with a Programmable Lanthanide Metal-Organic Framework via ATP-to-ADP Conversion.

Precise modulation of host-guest interactions between programmable Ln-MOFs (lanthanide metal-organic frameworks) and phosphate analytes holds immense promise for enabling novel functionalities in biosensing. However, the intricate relationship between these functionalities and structures remains largely elusive. Understanding this correlation is crucial for advancing the rational design of fluorescent biosensor technology. Presently, there exists a large research gap concerning the utilization of Ln-MOFsto monitor the conversion of ATP to ADP, which poses a limitation for kinase detection. In this work, we delve into the potential of Ln-MOFs to amplify the fluorescence response during the kinase-mediated ATP-to-ADP conversion. Six Eu-MOFs were synthesized and Eu-TPTC ([1,1':4',1″]-terphenyl-3,3'',5,5''-tetracarboxylic acid) was selected as a ratiometric fluorescent probe, which is most suitable for high-precision detection of creatine kinase activity through the differential response from ATP to ADP. The molecular -level mechanism was confirmed by density functional theory. Furthermore, a simple paper chip-based platform was constructed to realize the fast (20 min) and sensitive (limit of detection is 0.34 U/L) creatine kinase activity detection in biological samples. Ln-MOF-phosphate interactions offer promising avenues for kinase activity assays and hold the potential for precise customization of analytical chemistry.

Assessment of the molecular mechanism in fish using eugenol as anesthesia based on network pharmacology.

Eugenol is a commonly used fish anesthetic, but its mechanism of action is not fully understood. This study employed network pharmacology, molecular docking, and molecular dynamics simulation to explore the anesthetic targets of eugenol in fish. Initially, 63 potential targets for eugenol anesthesia were identified using databases such as SwissTarget, TargetNet, GeneCards, OMIM, and TTD. The DAVID database was utilized to analyze the GO functions and KEGG pathways of these targets, revealing 384 GO enrichment terms and 43 KEGG pathways. These terms involved neuroactive ligand-receptor interaction, calcium signaling pathway, and synaptic transmission. Subsequently, AutodockTools software facilitated molecular docking with targets in the KEGG pathway for "neuroactive ligand-receptor interaction." The results showed that eugenol had a strong affinity with these proteins. Concurrently, molecular dynamics simulations were conducted on the proteins with the top four lowest binding energies (Cnr1, Oprk1, Nr3c1, and Chrm5a) in the presence of eugenol. The eugenol-protein complexes remained stable and equilibrated within the dynamic environment. The results indicated that eugenol-anesthesia might affect membrane receptors, neurotransmitters, and ion signaling. This study elucidates the anesthetic mechanism of eugenol, enriches the primary data on fish anesthesia, and offers new analytical tools for understanding the action mechanisms of fishery drugs.

Accurate Collisional Cross Section Measurement by Multipass Cyclic Ion Mobility Spectrometry.

Ion mobility-mass spectrometry (IM-MS) is a powerful analytical tool for structural characterization. IM measurement provides collision cross section (CCS) values that facilitate analyte identification. While CCS values can be directly calculated from mobility measurements obtained using drift tube ion mobility spectrometry (DT-IMS), this method has limited mobility resolution due to the practical constraints on the length of the ion drift path. Consequently, DT-IMS cannot differentiate analytes with similar mobilities or resolve fine mobility features of individual ions. Cyclic IMS (cIMS) instruments leverage a cyclic path enabled by traveling wave ion mobility (TWIM) technology and offer increased mobility solution to address this challenge. While TWIM devices must first be calibrated to enable CCS measurements, current calibration strategies are primarily tailored for single-pass analyses. This preference is partly attributed to the challenges associated with multipass calibration methods, which require both calibrants and analytes to experience the same number of passes. Achieving this consistency can be complicated due to factors like peak splitting and diffusion, and may not be feasible for online IM-MS analyses. A recent report employed average ion velocities obtained from multiple measurements under different separation pathlengths as a path length-independent metric for CCS calibration. However, the ability to exploit this averaging approach is limited by observed variation in ion drift time/velocity in these measurements. In this study, we introduce a novel calibration strategy designed for multipass cIMS analyses, directly targeting the root cause for the path length- and mobility-dependent variations in ion drift time. With this method, we demonstrate that CCS values derived from multipass measurements closely align with those obtained from single-pass analyses, with an average deviation of 0.1%. We apply this method to characterize four isomeric trisaccharides. Our approach not only results in excellent agreement between our measured cIMSCCS values and the reported DTCCS values, with an average difference of only 0.5%, but also allows us to effectively identify subtle mobility characteristics of each compound and determine their respective CCS values. This level of detail and accuracy was previously unattainable using DT-IMS or single-pass cIMS measurements. We developed an algorithm for reconstructing arrival time distribution in cases where wrap-around has resulted in peak splitting. Collectively, the new calibration strategy and the reconstruction procedure maintain reproducibility and precision in CCS measurements while largely eliminating the need for meticulous selection of separation times. We expect that our method will empower researchers to harness the high mobility resolution offered by multipass cIMS analyses without compromising the accuracy of CCS measurement, making it appropriate for straightforward use across a wide range of applications.

Cloud-based introduction to BASH programming for biologists.

This manuscript describes the development of a resource module that is part of a learning platform named 'NIGMS Sandbox for Cloud-based Learning', https://github.com/NIGMS/NIGMS-Sandbox. The overall genesis of the Sandbox is described in the editorial authored by National Institute of General Medical Sciences: NIGMS Sandbox: A Learning Platform toward Democratizing Cloud Computing for Biomedical Research at the beginning of this supplement. This module delivers learning materials introducing the utility of the BASH (Bourne Again Shell) programming language for genomic data analysis in an interactive format that uses appropriate cloud resources for data access and analyses. The next-generation sequencing revolution has generated massive amounts of novel biological data from a multitude of platforms that survey an ever-growing list of genomic modalities. These data require significant downstream computational and statistical analyses to glean meaningful biological insights. However, the skill sets required to generate these data are vastly different from the skills required to analyze these data. Bench scientists that generate next-generation data often lack the training required to perform analysis of these datasets and require support from bioinformatics specialists. Dedicated computational training is required to empower biologists in the area of genomic data analysis, however, learning to efficiently leverage a command line interface is a significant barrier in learning how to leverage common analytical tools. Cloud platforms have the potential to democratize access to the technical tools and computational resources necessary to work with modern sequencing data, providing an effective framework for bioinformatics education. This module aims to provide an interactive platform that slowly builds technical skills and knowledge needed to interact with genomics data on the command line in the Cloud. The sandbox format of this module enables users to move through the material at their own pace and test their grasp of the material with knowledge self-checks before building on that material in the next sub-module. This manuscript describes the development of a resource module that is part of a learning platform named ``NIGMS Sandbox for Cloud-based Learning'' https://github.com/NIGMS/NIGMS-Sandbox. The overall genesis of the Sandbox is described in the editorial NIGMS Sandbox [1] at the beginning of this Supplement. This module delivers learning materials on the analysis of bulk and single-cell ATAC-seq data in an interactive format that uses appropriate cloud resources for data access and analyses.

Transcriptomics and epigenetic data integration learning module on Google Cloud.

Abstract Multi-omics (genomics, transcriptomics, epigenomics, proteomics, metabolomics, etc.) research approaches are vital for understanding the hierarchical complexity of human biology and have proven to be extremely valuable in cancer research and precision medicine. Emerging scientific advances in recent years have made high-throughput genome-wide sequencing a central focus in molecular research by allowing for the collective analysis of various kinds of molecular biological data from different types of specimens in a single tissue or even at the level of a single cell. Additionally, with the help of improved computational resources and data mining, researchers are able to integrate data from different multi-omics regimes to identify new prognostic, diagnostic, or predictive biomarkers, uncover novel therapeutic targets, and develop more personalized treatment protocols for patients. For the research community to parse the scientifically and clinically meaningful information out of all the biological data being generated each day more efficiently with less wasted resources, being familiar with and comfortable using advanced analytical tools, such as Google Cloud Platform becomes imperative. This project is an interdisciplinary, cross-organizational effort to provide a guided learning module for integrating transcriptomics and epigenetics data analysis protocols into a comprehensive analysis pipeline for users to implement in their own work, utilizing the cloud computing infrastructure on Google Cloud. The learning module consists of three submodules that guide the user through tutorial examples that illustrate the analysis of RNA-sequence and Reduced-Representation Bisulfite Sequencing data. The examples are in the form of breast cancer case studies, and the data sets were procured from the public repository Gene Expression Omnibus. The first submodule is devoted to transcriptomics analysis with the RNA sequencing data, the second submodule focuses on epigenetics analysis using the DNA methylation data, and the third submodule integrates the two methods for a deeper biological understanding. The modules begin with data collection and preprocessing, with further downstream analysis performed in a Vertex AI Jupyter notebook instance with an R kernel. Analysis results are returned to Google Cloud buckets for storage and visualization, removing the computational strain from local resources. The final product is a start-to-finish tutorial for the researchers with limited experience in multi-omics to integrate transcriptomics and epigenetics data analysis into a comprehensive pipeline to perform their own biological research. This manuscript describes the development of a resource module that is part of a learning platform named ``NIGMS Sandbox for Cloud-based Learning'' https://github.com/NIGMS/NIGMS-Sandbox. The overall genesis of the Sandbox is described in the editorial NIGMS Sandbox [16] at the beginning of this Supplement. This module delivers learning materials on the analysis of bulk and single-cell ATAC-seq data in an interactive format that uses appropriate cloud resources for data access and analyses. Highlights

John Lizars' (1792-1860). A system of anatomical plates of the human body: Artistry and analysis.

John Lizars' (1792-1860) 'A System of Anatomical Plates of the Human Body' is widely recognized as one of the finest British anatomical atlases published in the nineteenth century. Lizars' commentators always praise his illustrations for their artistry and accuracy, but no one ever provides an account of why they are artistically significant or what makes them veracious. The principal aim of this paper is to begin a discussion of both of those subjects and to show how Lizars used the resources of the visual arts as analytical tools to extend his audience's understanding of the human body.

Emergence of shared leadership in project teams: The role of events

The interest in project leadership research has expanded towards shared leadership practices, and shared leadership is a noteworthy alternative for traditional project management approaches. Despite the growing interest in shared leadership, the role of events in the emergence of shared leadership remains unclear. The aim of our research was to identify what kind of events trigger or hinder the emergence of shared leadership in project teams. Our qualitative research data from interviews with 31 project team members was collected in five different organizations. Activity theory was chosen as the analytical tool to explore the events affecting the emergence of shared leadership. We found event chains that trigger and hinder the emergence of shared leadership during the different phases of a project life cycle. Our research contributes to project leadership research by shedding light on the role of events in the emergence of shared leadership.

Gold occurrence in the footwall of the Lappberget Deposit, Garpenberg Mine, Sweden: Implications for recovery efficiency

By-product metals have a significant potential to bring additional economic benefits to mines. However, a detailed characterization of their distribution is generally required to fulfill this potential and should preferably be integrated into a geometallurgical assessment. This contribution presents a detailed mineralogical and textural investigation of gold-bearing phases at the footwall of the Zn–Pb–Ag–(Cu–Au) Lappberget Deposit, Garpenberg Mine, Sweden, using optical microscopy, scanning electron microscope with energy dispersive spectroscopy (SEM-EDS), electron probe microanalysis (EPMA), laser ablation-inductively coupled plasma mass spectrometer (LA-ICPMS), and bulk chemical analysis applied to drill core and Knelson concentrator samples. Gold is a by-product at the Garpenberg mine, but it is unclear how the mineralogy, occurrence, and distribution of gold-bearing phases impact on gold recoveries during mineral processing. Our results show that Au-dominant electrum is the most abundant gold-bearing phase in the footwall of the Lappberget deposit, occurring strongly associated to sulfides in a variety of textures and grain sizes. Electrum grains commonly occur within sulfide borders, as inclusions, intergrowth and overgrowths of chalcopyrite, pyrite, galena, sphalerite, and pyrrhotite. Gangue minerals may also contain disseminated electrum and inclusions. Electrum grain sizes range from ∼5 µm to 300 µm, predominantly below 100 µm. The potential of sulfide lattice-bound invisible gold in the form of solid-solution gold and colloidal gold was also investigated, showing Au depletion within the analyzed sulfide carriers. The analysis of the concentrate samples from the Knelson gravity concentrator showed 584 and 431 ppm of gold content. High degree of liberation is observed among the gold-bearing phases in the concentrate, and gold recovery is highest among fractions coarser than 106 µm mesh. Pyrite and galena are the most abundant minerals in the concentrate samples. The gold-bearing phases were categorized based on its mineralogy, texture, grain size, and association and their influence on gold processing, especially textures and grain size, which implicates its liberation in milling and recovery by the gravity separator.

Processing of crack-free Nickel- and Cobalt-based wear protection coatings and defined surfaces by subsequent milling processes

In the area of plant engineering, steel components are provided with a wear protection coating for efficient use to protect them against corrosive, tribological, thermal and mechanical stresses. The use of innovative ultrasound-assisted milling processes and plasma-welded nickel- and cobalt-based wear protection coatings are being investigated to determine how more favourable machinability can be achieved while retaining the same wear protection potential. The focus is on the NiCrSiFeB alloy, which is intended to replace CoCr alloys in the area of screw machines. The utilization of ultrasonic-assisted milling for the machining of coating materials is a novel approach. The modification of hard facing layers in terms of microstructure and precipitation morphology as well as suitability for machining is investigated and compared with the CoCr alloy. The alloy modifications are generated by a PTA process by systematically adjusting the preheating and interpass temperatures, a crack-free wear-resistant layer can be generated, which is subsequently machined by a milling process. In addition to the crack-free properties, the microstructure, the bonding as well as the mixing between the NiCrSiFeB alloy and a 1.8550 as well as between the CoCr alloy and a 1.4828 are analysed and compared in the joining areas. In addition, heating and cooling rates are determined and a chemical analysis of the weld metals is performed. Furthermore, it was found that the build-up layers of NiCrSiFeB alloy are more difficult to machine using the milling process than the CoCr alloy, as higher milling forces are required.

Searching for a relationship between the elemental composition of archaeological bones and the occurrence of caries.

Although the macroscopic assessment of dental caries and the assessment of bone elemental composition are quite different, efforts can be made to identify commonalities in the assessment of health and nutritional quality. Both indicators are correlated with dietary habits and are dependent on taphonomic processes occurring in the postmortem substrate. However, teeth exhibit structural resilience of their hard tissues to adverse environmental factors. The aim of the study was to establish a correlation between the elemental composition of bones and the presence of carious lesions. The study material consisted of the following skeletal parts: 161 permanent teeth from 36 individuals and bridge fragments of 36 ribs. The presence of caries was assessed visually using a modified International Caries Detection & Assessment System (ICDAS II) scale. The rib samples were subjected to elemental analysis (zinc (Zn), iron (Fe), magnesium (Mg), calcium (Ca), phosphorus (P), strontium (Sr), barium (Ba)) using spectroscopic methods. The odontological and chemical analyses did not reveal any statistically significant relationships between the Ca/P diagenesis index and dental features. Postmortem tooth loss showed a weak correlation with the diagenesis index. Discoloration, cracks and flaking of the dental crown surfaces may be associated with the intensity of Ca/P diagenesis. However, no significant correlation was found between these phenomena. Among other elements, only Zn levels exhibited a correlation with the caries index.

Risk Analysis of Jet A-1 Tank Filling and Storage Processes at the Shorebase

Coastal Logistics Centers (CLS) provide logistics support to deep-sea drilling operations. Jet A-1 (helifuel), required for helicopters that transfer personnel to drilling ships, is filled into tanks from the tanker arriving at CLS and stored in open areas. Jet A-1 is a hazardous chemical with flammable and toxic effects and can also explode when exposed to flame. Risk analysis of this hazardous chemical is essential for CLS. This study aimed to determine the process hazards and risk analysis in the filling and storage operation of Jet A-1 from tankers to tanks. For this purpose, the Preliminary Hazard List (PHL) and Preliminary Hazard Analysis (PHA) were performed. Then, a Hazard and Operability (HAZOP) study was carried out based on these analysis results. The HAZOP study identified Jet A-1 overflow from the tank as a high-risk event. Afterward, Event Tree Analysis (ETA) was performed on the initial event of Jet A-1 spilling due to tank overflow. In ETA analysis, immediate ignition, delayed ignition, and explosion probabilities resulting from delayed ignition were calculated with the CCPS (Center for Chemical Process Safety) Module. The probability and frequency values of accident scenarios were calculated as P=0.0028, f=1.736 x10-4 year-1 for jet fire, P=0.0225, f=1.395x10-3 year-1 for vapor cloud explosion, P=0.127, f=7.874x10-3 year-1 for flash fire, P=0.847, f = 0.0525 year-1 for toxic release, respectively. It was determined that all accident scenario frequency values were above the legislation threshold value (10-4 year-1). Design solutions and preventive measures have been proposed to reduce risks. The combination of risk analysis methods is effective in risk assessment studies.

Integrated Applied Clinical Pharmacology in the Advancement of Rare and Ultra-Rare Disease Therapeutics.

The introduction of safe and effective rare/ultra-rare disease treatments is a focus of many biotherapeutic enterprises. Despite this increased activity, a significant unmet need remains, and the responsibility to meet this need is augmented by enhanced genomic, biologic, medical, analytical, and informatic tools. It is recognized that the development of an effective and safe rare/ultra-rare disease therapeutic faces a number of challenges with an important role noted for clinical pharmacology. Clinical pharmacology is foundationally an integrative discipline which must be embedded in and is interdependent upon understanding the pathogenic biology, clinical presentation, disease progression, and end-point assessment of the disease under study. This manuscript presents an overview and two case examples of this integrative approach, the development of C5-targeted therapeutics for the treatment of generalized myasthenia gravis and asfotase alpha for the treatment of hypophosphatasia. The two presented case examples show the usefulness of understanding the biological drivers and clinical course of a rare disease, having relevant animal models, procuring informative natural history data, importing assessment tools from relevant alternative areas, and using integrated applied clinical pharmacology to inform target engagement, dose, and the cascade of pharmacodynamic and clinical effects that follow. Learnings from these programs include the importance of assuring cross-validation of assays throughout a development program and continued commitment to understanding the relationship among the array of Pd end points and clinical outcomes. Using an integrative approach, substantive work remains to be done to meet the unmet needs of patients with rare/ultra-rare disease.

Stochastic dynamics mass spectrometric and Fourier transform infrared spectroscopic structural analyses of composite biodegradable plastics

<p>The (partial) replacement of synthetic polymers with bioplastics is due to increased production of conventional packaging plastics causing for severe environmental pollution with plastics waste. The bioplastics, however, represent complex mixtures of known and unknown (bio)polymers, fillers, plasticizers, stabilizers, flame retardant, pigments, antioxidants, hydrophobic polymers such as poly(lactic acid), polyethylene, polyesters, glycol, or poly(butylene succinate), and little is known of their chemical safety for both the environment and the human health. Polymerization reactions of bioplastics can produce no intentionally added chemicals to the bulk material, which could be toxic, as well. When polymers are used to food packing, then the latter chemicals could also migrate from the polymer to food. This fact compromises the safety for consumers, as well. The scarce data on chemical safety of bioplastics makes a gap in knowledge of their toxicity to humans and environment. Thus, development of exact analytical protocols for determining chemicals of bioplastics in environmental and food samples as well as packing polymers can only provide warrant for reliable conclusive evidence of their safety for both the human health and the environment. The task is compulsory according to legislation Directives valid to environmental protection, food control, and assessment of the risk to human health. The quantitative and structural determination of analytes is primary research task of analysis of polymers. The methods of mass spectrometry are fruitfully used for these purposes. Methodological development of exact analytical mass spectrometric tools for reliable structural analysis of bioplastics only guarantees their safety, efficacy, and quality to both humans and environment. This study, first, highlights innovative stochastic dynamics equations processing exactly mass spectrometric measurands and, thus, producing exact analyte quantification and 3D molecular and electronic structural analyses. There are determined synthetic polymers such as poly(ethylenglycol), poly(propylene glycol), and polyisoprene as well as biopolymers in bags for foodstuffs made from renewable cellulose and starch, and containing, in total within the 20,416–17,495 chemicals per sample of the composite biopolymers. Advantages of complementary employment in mass spectrometric methods and Fourier transform infrared spectroscopy is highlighted. The study utilizes ultra-high resolution electrospray ionization mass spectrometric and Fourier transform infrared spectroscopic data on biodegradable plastics bags for foodstuffs; high accuracy quantum chemical static methods, molecular dynamics; and chemometrics. There is achieved method performance |<em>r</em>| = 0.99981 determining poly(propylene glycol) in bag for foodstuff containing 20,416 species and using stochastic dynamics mass spectrometric formulas. The results highlight their great capability and applicability to the analytical science as well as relevance to both the fundamental research and to the industry.</p>

Inhibition of Microbial Growth and Biofilm Formation in Pure and Mixed Bacterial Samples.

Hydraulic fracturing, or fracking, requires large amounts of water to extract fossil fuel from rock formations. As a result of hydraulic fracturing, the briny wastewater, often termed back-produced fracturing or fracking water (FW), is pumped into holding ponds. One of the biggest challenges with produced water management is controlling microbial activity that could reduce the pond water's reusable layer and pose a significant environmental hazard. This study focuses on the characterization of back-produced water that has been hydraulically fractured using chemical and biological analysis and the development of a high-throughput screening method to evaluate and predict the antimicrobial effect of four naturally and commercially available acidic inhibitors (edetic acid, boric acid, tannic acid, and lactic acid) on the growth of the FW microbiome. Liquid cultures and biofilms of two laboratory model strains, the vegetative Escherichia coli MG1655, and the spore-forming Bacillus atrophaeus (also known as Bacillus globigii, BG) bacteria, were used as reference microorganisms. Planktonic bacteria in FW were more sensitive to antimicrobials than sessile bacteria in biofilms. Spore-forming BG bacteria exhibited more sensitivity to acidic inhibitors than the vegetative E. coli cells. Organic acids were the most effective bacterial growth inhibitors in liquid culture and biofilm.

Chemical detection and analysis of Astragalus-Cassia twig drug pair using UHPLC-Q-TOF-MS and HPLC-UV methods

The classic Astragalus-Cassia twig drug pair has a long history of proven efficacy. However, a fewer studies on material basis of the Astragalus and Cassia twig decoction (ACD) was researched at present. The method of UPLC-Q-TOF-MS for classifying and identifying the main chemical components of ACD was established and the differences in composition between single decoction and co-decoction were compared by using HPLC-UV. The therapeutic role of ACD on type 2 diabetes (T2D) rats was investigated. Thirty-five compounds were resolved from the ACD. Fifteen compounds were deduced from the decoction of Astragalus, whereas nine compounds were identified from Cassia twig. Pairing of herbs make a significant effect on the chemical composition of herbal decoction. ACD can play a more obvious role in alleviating the symptoms of T2D rats, compared to the application of single herb.

Technology verification of Portland cement clinker production driven by concentrated solar energy directly

Fuel substitution is an important measure for heat substitution and carbon emissions reduction in cement production by using low-carbon fuels such as solid waste, natural gas, biomass energy and solar energy. In this study, a technology that uses concentrated solar energy to directly drive solar cement clinker production is proposed and its feasibility is experimental demonstrated. The results showed that cement clinker could be burned using concentrated solar energy. Because the sintering rate is rapid, rapid burning and/or under-burning also occurs during the sintering process, which causes the clinker structure exhibit a sheet structure. The chemical composition analysis showed that the total mass fraction of dicalcium silicate (C2S) and tricalcium silicate (C3S) exceeded 70 %, the mass fraction of f-CaO was higher than the standard value (≤1.5 %). Controlling the sintering temperature and time, and increasing the cooling rate are significant factors in ensuring the quality of the cement clinker.