Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Journals

Article Types

Countries / Regions

Search Results (10)

Search Parameters:
Keywords = virtual spectrometry analytics

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
13 pages, 703 KiB  
Article
Chemical Composition, Market Survey, and Safety Assessment of Blue Lotus (Nymphaea caerulea Savigny) Extracts
by Noura S. Dosoky, Sara A. Shah, Joseph T. Dawson, Sushant Sharma Banjara, Ambika Poudel, Cécile Bascoul and Prabodh Satyal
Molecules 2023, 28(20), 7014; https://doi.org/10.3390/molecules28207014 - 10 Oct 2023
Cited by 6 | Viewed by 9580
Abstract
Blue lotus, also known as Nymphaea caerulea (Nymphaeaceae), is a water lily found globally in lakes and rivers. With its long history of use in Egyptian culture, blue lotus has been associated with spiritual rituals and health benefits. Nowadays, blue lotus is still [...] Read more.
Blue lotus, also known as Nymphaea caerulea (Nymphaeaceae), is a water lily found globally in lakes and rivers. With its long history of use in Egyptian culture, blue lotus has been associated with spiritual rituals and health benefits. Nowadays, blue lotus is still consumed as a tea or tincture to induce relaxation and heightened spiritual awareness. In this study, six authentic N. caerulea extracts from trusted sources and eleven commercial products were analyzed using gas chromatography−mass spectrometry (GC-MS). Authentic blue lotus extracts were produced in industrial settings. Overall, the extracts were a mixture of aliphatic hydrocarbons, aromatic alcohols, fatty acids, phenyl derivatives, diterpenoids, phytosterols, and stigmastanes. Apomorphine and nuciferine, which are responsible for psychoactive effects of the blue lotus flower, were virtually absent from the authentic blue lotus extract. Although blue lotus has a long history of use, the safety data on the plant and its extracts is limited; however, together with the analytical data, the available information does not indicate major safety concerns for the topical application of authentic blue lotus flower concrete or absolute when diluted as a fragrance ingredient. Full article
(This article belongs to the Special Issue Study on Extraction and Chemical Constituents of Natural Extracts)
Show Figures

Graphical abstract

36 pages, 9513 KiB  
Review
A Neoteric View of sp2 Amorphous Carbon
by Elena F. Sheka
Nanomaterials 2023, 13(10), 1648; https://doi.org/10.3390/nano13101648 - 15 May 2023
Cited by 2 | Viewed by 2633
Abstract
Presented is a concentrated synopsis of facilities of empirical and virtual analytics that, once applied, have provided a fully new vision of sp2 amorphous carbons. This study proved that the solids are multilevel structures, started with the first-level basic structural units (BSUs) [...] Read more.
Presented is a concentrated synopsis of facilities of empirical and virtual analytics that, once applied, have provided a fully new vision of sp2 amorphous carbons. This study proved that the solids are multilevel structures, started with the first-level basic structural units (BSUs) and accomplished as macroscopic agglomerates of globular structures, consisting, in its turn, of stacked BSUs. BSUs present necklaced graphene molecules, size, and shape of which are governed by the relevant graphene domains while chemical composition in addition to basic carbon is controlled with heteroatoms of the necklaces. This study shows that BSUs and stacks of BSUs determine the short-range order of the solids and are the main subject of the applied analytics. The synopsis consists of two parts related to empirical and virtual analytics. The former is composed of sections related to structural determination, total and atomic chemical content evaluation and elicitation of the covalent bond composition. The second presents new analytic approaches based on the Digital Twins concept and virtual vibrational spectrometry. The synopsis is configured as an atlas composed of generalized pictures accompanied with necessary explanations to be discussed in detail in the extended references. Full article
(This article belongs to the Special Issue New Graphene Story of Old Amorphous Carbon)
Show Figures

Figure 1

15 pages, 1614 KiB  
Article
Triterpenoids of Three Apple Cultivars—Biosynthesis, Antioxidative and Anti-Inflammatory Properties, and Fate during Processing
by Łukasz Woźniak, Anna Szakiel, Agnieszka Głowacka, Elżbieta Rozpara, Krystian Marszałek and Sylwia Skąpska
Molecules 2023, 28(6), 2584; https://doi.org/10.3390/molecules28062584 - 13 Mar 2023
Cited by 9 | Viewed by 2861
Abstract
Triterpenoids are a group of secondary plant metabolites, with a remarkable pharmacological potential, occurring in the cuticular waxes of the aerial parts of plants. The aim of this study was to analyze triterpenoid variability in the fruits and leaves of three apple cultivars [...] Read more.
Triterpenoids are a group of secondary plant metabolites, with a remarkable pharmacological potential, occurring in the cuticular waxes of the aerial parts of plants. The aim of this study was to analyze triterpenoid variability in the fruits and leaves of three apple cultivars during the growing season and gain new insights into their health-promoting properties and fate during juice and purée production. The identification and quantification of the compounds of interest were conducted using gas chromatography coupled with mass spectrometry. The waxes of both matrices contained similar analytes; however, their quantitative patterns varied: triterpenic acids prevailed in the fruits, while higher contents of steroids and esterified forms were observed in the leaves. The total triterpenoid content per unit area was stable during the growing season; the percentage of esters increased in the later phases of growth. Antioxidative and anti-inflammatory properties were evaluated with a series of in vitro assays. Triterpenoids were found to be the main anti-inflammatory compounds in the apples, while their impact on antioxidant capacity was minor. The apples were processed on a lab scale to obtain juices and purées. The apple purée and cloudy juice contained only some of the triterpenoids present in the raw fruit, while the clear juices were virtually free of those lipophilic compounds. Full article
Show Figures

Figure 1

13 pages, 1669 KiB  
Article
A Four-Step Platform to Optimize Growth Conditions for High-Yield Production of Siderophores in Cyanobacteria
by Karishma Kundu, Roberta Teta, Germana Esposito, Mariano Stornaiuolo and Valeria Costantino
Metabolites 2023, 13(2), 154; https://doi.org/10.3390/metabo13020154 - 20 Jan 2023
Cited by 6 | Viewed by 2685
Abstract
In response to Iron deprivation and in specific environmental conditions, the cyanobacteria Anabaena flos aquae produce siderophores, iron-chelating molecules that in virtue of their interesting environmental and clinical applications, are recently gaining the interest of the pharmaceutical industry. Yields of siderophore recovery from [...] Read more.
In response to Iron deprivation and in specific environmental conditions, the cyanobacteria Anabaena flos aquae produce siderophores, iron-chelating molecules that in virtue of their interesting environmental and clinical applications, are recently gaining the interest of the pharmaceutical industry. Yields of siderophore recovery from in vitro producing cyanobacterial cultures are, unfortunately, very low and reach most of the times only analytical quantities. We here propose a four-step experimental pipeline for a rapid and inexpensive identification and optimization of growth parameters influencing, at the transcriptional level, siderophore production in Anabaena flos aquae. The four-steps pipeline consists of: (1) identification of the promoter region of the operon of interest in the genome of Anabaena flos aquae; (2) cloning of the promoter in a recombinant DNA vector, upstream the cDNA coding for the Green Fluorescent Protein (GFP) followed by its stable transformation in Escherichia Coli; (3) identification of the environmental parameters affecting expression of the gene in Escherichia coli and their application to the cultivation of the Anabaena strain; (4) identification of siderophores by the combined use of high-resolution tandem mass spectrometry and molecular networking. This multidisciplinary, sustainable, and green pipeline is amenable to automation and is virtually applicable to any cyanobacteria, or more in general, to any microorganisms. Full article
(This article belongs to the Section Plant Metabolism)
Show Figures

Figure 1

10 pages, 2853 KiB  
Article
Matrix-Assisted 1H DOSY Applied to Flavonoid Analysis in Scutellaria baicalensis
by Yulin You, Dongxiao Guo, Weiliang Cui, Zhifan Wang, Chunguo Yang, Yongqiang Lin and Shuqi Wang
Separations 2022, 9(12), 388; https://doi.org/10.3390/separations9120388 - 23 Nov 2022
Cited by 1 | Viewed by 2035
Abstract
Matrix-assisted diffusion-ordered spectroscopy (MA DOSY) technology enables efficient the virtual separation of components in a mixture according to their coefficients (D). In the current research, MA DOSY technology was applied for the analysis of a flavonoid mixture. To establish the method, five representative [...] Read more.
Matrix-assisted diffusion-ordered spectroscopy (MA DOSY) technology enables efficient the virtual separation of components in a mixture according to their coefficients (D). In the current research, MA DOSY technology was applied for the analysis of a flavonoid mixture. To establish the method, five representative active flavonoid ingredients, including baicalein, baicalin, quercetin, puerarin and rutinum, were selected for the mixture model. The effects of the type and concentration of the matrix, solvent polarity, and nuclear magnetic resonance (NMR) experimental conditions on the resolution of the DOSY spectrum were investigated. It turned out that sodium dodecyl sulfate (SDS) showed the best performance in increasing the resolution of different analytes, which initially increased to the peak below the added amount of 9 mg, and decreased upon the addition of more SDS. In addition, the five flavonoids showed higher resolution in DMSO–d6 than in MeOD. Experimental parameters of DOSY, including the number of scans (NS), dummy scans (DS), and value of the FID data points (TD), were also optimized. Finally, the above optimized method was used for the qualitative analysis of the total flavonoid mixture extracted from Scutellaria baicalensis Georgi. A total of nine compounds were identified and confirmed by comparing them with mass spectrometry data, which further verifies the practical value of this method upon analyzing flavonoid mixtures and provides some reference significance for the follow-up research. Full article
(This article belongs to the Special Issue Isolation and Structure Elucidation of Antibacterial Compound)
Show Figures

Figure 1

21 pages, 7821 KiB  
Article
Virtual Vibrational Analytics of Reduced Graphene Oxide
by Elena F. Sheka and Nadezhda A. Popova
Int. J. Mol. Sci. 2022, 23(13), 6978; https://doi.org/10.3390/ijms23136978 - 23 Jun 2022
Cited by 9 | Viewed by 2048
Abstract
The digital twin concept lays the foundation of the virtual vibrational analytics suggested in the current paper. The latter presents extended virtual experiments aimed at determining the specific features of the optical spectra of the studied molecules that provide reliable express analysis of [...] Read more.
The digital twin concept lays the foundation of the virtual vibrational analytics suggested in the current paper. The latter presents extended virtual experiments aimed at determining the specific features of the optical spectra of the studied molecules that provide reliable express analysis of the body spatial structure and chemical content. Reduced graphene oxide was selected as the virtual experiment goal. A set of nanosize necklaced graphene molecules, based on the same graphene domain but differing by the necklace contents, were selected as the relevant DTs. As shown, the Raman spectra signatures contained information concerning the spatial structure of the graphene domains, while the molecule necklaces were responsible for the IR spectra. Suggested sets of general frequency kits facilitate the detailed chemical analysis. Express analysis of a shungite carbon, composed of rGO basic structural units, revealed the high ability of the approach. Full article
Show Figures

Figure 1

23 pages, 123709 KiB  
Article
The Church of S. Maria Delle Palate in Tusa (Messina, Italy): Digitization and Diagnostics for a New Model of Enjoyment
by Dario Giuffrida, Sara Bonanno, Francesco Parrotta, Viviana Mollica Nardo, Gianfranco Anastasio, Maria Luisa Saladino, Francesco Armetta and Rosina Celeste Ponterio
Remote Sens. 2022, 14(6), 1490; https://doi.org/10.3390/rs14061490 - 19 Mar 2022
Cited by 7 | Viewed by 4062
Abstract
Cultural places represent the tangible part of the identity and historical heritage of a civilization as well as an extraordinary driving force for the economic development of a country. Within its huge asset, Italy counts a wide number of archaeological sites and monuments [...] Read more.
Cultural places represent the tangible part of the identity and historical heritage of a civilization as well as an extraordinary driving force for the economic development of a country. Within its huge asset, Italy counts a wide number of archaeological sites and monuments which, despite their cultural value, are totally cut off from the most important cultural routes. This paper aims to demonstrate how specific actions of digitization can contribute to valorize (restoring a cultural value) ‘marginal’ landmarks, promoting their knowledge and inclusion. The case study described is represented by the Church of “Santa Maria delle Palate”, located inside the well-known Archaeological Park of Halaesa Arconidea (Tusa, ME). The church, built in 1551 and subject to several renovations throughout the centuries, has been investigated as part of an interdisciplinary training and skill transfer project carried out by a CNR-IPCF research team. During the activities, the group of trainees approached a multi-analytic method for the study of many Sicilian places using different techniques such as laser scanning, photogrammetry, thermography and spectroscopy and collecting a large amount of information and data. In 2019, the building in question was the object of a complete architectural survey in order to obtain an accurate digital replica; moreover, the wall painting representing St. Francis, preserved in the southern nave, was investigated through non-invasive investigations (IR-imaging, XRF and Raman spectrometry) with the intention of collecting information about its state of preservation and nature of pigments used and help the restoration work, which would have been carried out in the following months. The result of the work is a combined “digital archive” useful not only for the purposes of conservation, monitoring and dissemination, but as a container of information enjoyable at different levels of depth. In addition to the scientific outcomes achieved for the study of the painting, relevant from the historical and artistic point of view, we must underline the importance of the work for the implementation of a web-based platform where expert and inexpert users can virtually access the church virtual tour and search for specialized contents (e.g., measures, analyzes results). Media such as this are finally demonstrated to be able to promote the inclusion (e.g., for people unable to reach the place or with reducing mobility) and accessibility to cultural places during ordinary (maintenance, closure) or extraordinary events (pandemic). Full article
Show Figures

Figure 1

12 pages, 8607 KiB  
Communication
Determination of the Li Distribution in Synthetic Recycling Slag with SIMS
by Thomas Schirmer, Michael Wahl, Wolfgang Bock and Michael Kopnarski
Metals 2021, 11(5), 825; https://doi.org/10.3390/met11050825 - 18 May 2021
Cited by 9 | Viewed by 2175
Abstract
The recovery of technically important elements like lithium from slag of pyrometallurgical recycling of lithium traction batteries will be very important in future due to the expected increasing demand of this element with the upcoming world-wide implementation of electro mobility. Therefore, the investigation [...] Read more.
The recovery of technically important elements like lithium from slag of pyrometallurgical recycling of lithium traction batteries will be very important in future due to the expected increasing demand of this element with the upcoming world-wide implementation of electro mobility. Therefore, the investigation of possibilities to recover lithium from pyrometallurgical slag from the recycling of lithium traction batteries is mandatory. In this context, the EnAM (engineered artificial mineral) approach is very promising. Solidified melt of synthetic recycling slag with the compounds Li2O-MgO-Al2O3-SiO2-CaO-MnO contains various Li-bearing phases including spinel solid solution, Li-aluminate and eucryptite-like Li-alumosilicate. Most probably, the Ca-alumosilicate matrix (melilite-like solid solution) incorporates lithium as well. These compounds can be determined and calculated to an acceptable approximation with electron probe microanalysis (EPMA). Nevertheless, an adequate precise measurement of lithium is virtually impossible due to the extremely low fluorescence yield and long wavelength of Li Kα. Secondary mass spectrometry (SIMS) can be used to fill this gap in the analytical assessment of the slag. Therefore, the combination of these two analytical methods can distinctively improve the mineralogical and chemical characterization of lithium-containing solidified (slag) melt. Full article
Show Figures

Figure 1

22 pages, 616 KiB  
Review
MALDI Imaging Mass Spectrometry (MALDI-IMS)―Application of Spatial Proteomics for Ovarian Cancer Classification and Diagnosis
by Johan O. R. Gustafsson, Martin K. Oehler, Andrew Ruszkiewicz, Shaun R. McColl and Peter Hoffmann
Int. J. Mol. Sci. 2011, 12(1), 773-794; https://doi.org/10.3390/ijms12010773 - 21 Jan 2011
Cited by 86 | Viewed by 20554
Abstract
MALDI imaging mass spectrometry (MALDI-IMS) allows acquisition of mass data for metabolites, lipids, peptides and proteins directly from tissue sections. IMS is typically performed either as a multiple spot profiling experiment to generate tissue specific mass profiles, or a high resolution imaging experiment [...] Read more.
MALDI imaging mass spectrometry (MALDI-IMS) allows acquisition of mass data for metabolites, lipids, peptides and proteins directly from tissue sections. IMS is typically performed either as a multiple spot profiling experiment to generate tissue specific mass profiles, or a high resolution imaging experiment where relative spatial abundance for potentially hundreds of analytes across virtually any tissue section can be measured. Crucially, imaging can be achieved without prior knowledge of tissue composition and without the use of antibodies. In effect MALDI-IMS allows generation of molecular data which complement and expand upon the information provided by histology including immuno-histochemistry, making its application valuable to both cancer biomarker research and diagnostics. The current state of MALDI-IMS, key biological applications to ovarian cancer research and practical considerations for analysis of peptides and proteins on ovarian tissue are presented in this review. Full article
(This article belongs to the Special Issue Cancer Molecules in Ovarian Cancer)
Show Figures

Graphical abstract

13 pages, 576 KiB  
Article
External Second Gate, Fourier Transform Ion Mobility Spectrometry: Parametric Optimization for Detection of Weapons of Mass Destruction
by Edward E. Tarver
Sensors 2004, 4(1), 1-13; https://doi.org/10.3390/s40100001 - 30 Mar 2004
Cited by 32 | Viewed by 10764
Abstract
Ion mobility spectrometry (IMS) is recognized as one of the most sensitive and robust techniques for the detection of narcotics, explosives and chemical warfare agents. IMS is widely used in forensic, military and security applications. Increasing threat of terrorist attacks, the proliferation of [...] Read more.
Ion mobility spectrometry (IMS) is recognized as one of the most sensitive and robust techniques for the detection of narcotics, explosives and chemical warfare agents. IMS is widely used in forensic, military and security applications. Increasing threat of terrorist attacks, the proliferation of narcotics, Chemical Weapons Convention (CWC) treaty verification as well as humanitarian de-mining efforts have mandated that equal importance be placed on the time required to obtain results as well as the quality of the analytical data. [1] In this regard IMS is virtually unrivaled when both speed of response and sensitivity have to be considered. [2] The problem with conventional (signal averaging) IMS systems is the fixed duty cycle of the entrance gate that restricts to less than 1%, the number of available ions contributing to the measured signal. Furthermore, the signal averaging process incorporates scan-to-scan variations that degrade the spectral resolution contributing to misidentifications and false positives. With external second gate, Fourier Transform ion mobility spectrometry (FT-IMS) the entrance gate frequency is variable and can be altered in conjunction with other data acquisition parameters (scan time and sampling rate) to increase the spectral resolution to reduce false alarms and improve the sensitivity for early warning and contamination avoidance. In addition, with FT-IMS the entrance gate operates with a 50% duty cycle and so affords a seven-fold increase in sensitivity. Recent data on high explosives are presented to demonstrate the parametric optimization in sensitivity and resolution of our system. Full article
Show Figures

Back to TopTop