Kevin A. Schug’s research while affiliated with The University of Texas at Arlington and other places

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Publications (243)


Waterpipe Size Matters: The Effect of Waterpipe Size on Toxicant Exposures and Subjective Experiences
  • Article

October 2024

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7 Reads

Nicotine & Tobacco Research

Danny Dabroy

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Steven Alec Barrientos

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Mohammed Ebrahimi Kalan

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[...]

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Introduction Waterpipe (WP) tobacco smoking remains popular among US young adults, yet specific regulations for WP devices are lacking. This study examines how WP device size (base volume and height) affects smoking behavior, toxicant exposures, and subjective experiences. Methods Thirty-eight individuals who smoke WP aged 21 to 39 participated in a randomized crossover study. Each completed three 45-minute ad libitum smoking sessions using small, medium, and large WP sizes. Saliva nicotine and exhaled carbon monoxide (eCO) were measured before and after smoking. Puff topography was recorded during sessions, and subjective smoking experiences were collected afterward. Results Significant differences were observed in saliva nicotine between the three WP sizes, with higher concentrations for the small WP relative to larger sizes (Ps<0.05). Exhaled CO was significantly higher after smoking the large WP compared to smaller sizes (Ps<0.05). Puff topography revealed significant differences and followed a dose-response pattern, with larger size associated with longer puff duration, greater smoke volume inhaled, and larger puff volume (Ps<0.05). The large WP was associated with enhanced subjective experiences for satisfaction and concentration compared to the small WP (Ps<0.05). Conclusions WP size substantially impacts smoking experiences and exposures. Regulation of WP size should be essential in comprehensive tobacco control policies aimed at curbing WP use among young adults. These findings will aid in developing of WP size-specific standards to regulate the marketing and sales of WP devices. Such regulations should aim to minimize toxicant exposure by controlling the dimensions and design of WP components, which can significantly influence smoking behavior and toxicant intake. Implications This study underscores the critical role of waterpipe (WP) size in shaping smoking behavior, experiences, and exposures among young adults.


Characterization of a Soft Ionization by Chemical Reaction in Transfer Ion Source Hyphenated With Supercritical Fluid Chromatography-Tandem Mass Spectrometry

September 2024

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14 Reads

Journal of Separation Science

A commercially available dielectric barrier discharge ionization (DBDI) source was tested with supercritical fluid chromatography‐mass spectrometry (SFC‐MS). The compound mixture investigated comprised caffeine, theobromine, theophylline, uracil, testosterone, and pyrene, diluted in methanol. Dynamic response ranges were evaluated with multiple injections at different concentrations. Precision studies demonstrated the robustness and sensitivity of the ionization source across a concentration range of 10–1000 ng/mL. Results from this experiment showed linear regression of 0.99 or greater for all analytes tested over the range with a relative standard deviation (RSD) of less than 10% down to 10 ng/mL for all analytes except theobromine, which had an RSD of less than 10% down to 25 ng/mL. Notably, this study marks the first investigation of sensitivity for coupling a commercial DBDI source with SFC; a limit of detection less than 1 ng/mL was achieved for all compounds. This study demonstrates chromatographic separation by SFC and MS analysis for compounds that ionize poorly using traditional atmospheric pressure ionization, such as polycyclic aromatic hydrocarbons. Combining SFC with the DBDI source opens promising avenues for analyzing compounds that were previously challenging to characterize with standard atmospheric pressure ionization techniques.



Investigation of operational fundamentals for vacuum-assisted headspace high-capacity solid-phase microextraction and gas chromatographic analysis of semivolatile compounds from a model solid sample

April 2024

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35 Reads

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2 Citations

Journal of Separation Science

Vacuum‐assisted headspace solid‐phase microextraction (Vac‐HS‐SPME) is a technique used to enhance SPME sampling of semi‐volatile organic compounds. Here, it was combined with a high‐capacity SPME Arrow, which features a larger volume of extraction phase and a more rugged configuration than traditional extraction fibers. An in‐depth assessment of the critical parameters was conducted to achieve optimal extraction of representative compounds from a model solid sample matrix (Ottawa sand). Operational fundamentals investigated included the types of seals needed to create a leak‐free environment under vacuum conditions; the magnitude of the vacuum applied and time needed to activate the Vac kinetics; order of sample vial preparation methods (VPMs); and other standard variables associated with extract analysis by gas chromatography‐mass spectrometry. When exploring the limits of sample VPMs, results indicated an ideal workflow requires the solid sample to be spiked before sealing the vial, allow the sample to rest overnight, then apply vacuum at a pressure of ‐677 mbar (out of ‐789 mbar maximum possible vacuum with pump and compressor used), exerted on the vial for 90 s. This work provides the necessary workflow for the optimization of Vac‐HS‐SPME sampling of analytes from solid matrices.


Figure 1. The growth curves of P. aeruginosa HER-1018 strain and B. megaterium sp. cell growth in sterilized low-salinity produced water during 48 h of incubation at 37 • C. The error bars represent the standard deviations for the triplicates.
Figure 2. Effect of P. aeruginosa phage SN treatment on the host cells grown in low-salinity PW, MOI = 10. A comparison between a normal growth curve of P. aeruginosa HER-1018 strain and a growth curve after inoculation with P. aeruginosa phage SN in sterilized low-salinity PW during 26 h of incubation at 37 • C. The error bars represent the standard deviations for the triplicates.
Figure 3. Effect of the individual B. megaterium phage treatments (Slash and Palmer) on the host cell growth in sterilized low salinity PW, MOI = 10. A comparison between a normal growth curve of B. megaterium sp. and a growth curve after individual inoculation with the B. megaterium Slash and Palmer phages in low-salinity PW during 24 h of incubation at 37 • C. The error bars represent the standard deviations for the triplicates.
Figure 4. Effect of the phage cocktail treatment (Slash and Palmer) on the host cell growth in sterilized low-salinity PW. Comparison between normal growth of B. megaterium sp. control against growth after inoculation with cocktail in low-salinity PW during 24 h of incubation at 37 • C.
Using Bacteriophages to Treat Resilient Bacteria Found in Produced Water
  • Article
  • Full-text available

March 2024

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43 Reads

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1 Citation

Water

Citation: Sanchez-Rosario, R.; Garcia, J.; Rodriguez, V.; Schug, K.A.; Hildenbrand, Z.L.; Bernal, R.A. Using Bacteriophages to Treat Resilient Bacteria Found in Produced Water. Water 2024, 16, 797. https:// Abstract: Numerous treatment modalities have been employed over the years to eradicate bacterial communities in industrial wastewater. Oxidizing agents and chemical additives, such as ozone, permanganate, glutaraldehyde, and chlorine, are effective in treating microbial contaminants that are typically found in domestic wastewater. However, the chemical complexity of water produced from fracking requires novel approaches, because the microbes have developed mechanisms to overcome typical disinfectants. In this work, we test the effectiveness of bacteriophages for the eradication of two model bacteria from produced water: Pseudomonas aeruginosa and Bacillus megaterium. These bacteria were grown in low salinity produced water and exposed to their corresponding phage. Overall, the total inactivation of the P. aeruginosa population was achieved, as well as the inactivation of B. megaterium. These promising results provide a potentially useful tool for bacterial elimination in overall PW treatment, at an industrial scale. Particularly, since phage treatment is a rapid and cost-effective alternative. Moreover, these results fall within the objectives proposed as part of the sustainable development goals adopted worldwide.

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Vacuum-Assisted Headspace Solid-Phase Microextraction Sampling Method for the Extraction of Semi-Volatile Compounds: An Overview

November 2023

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5 Reads

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2 Citations

LCGC North America

Vacuum-assisted headspace solid-phase microextraction (Vac-HS-SPME) is an emerging sampling technique that enhances the extraction of semi-volatile compounds. The one extra step of pulling vacuum from the sampling vial pre-equilibrium increases the concentration of semi-volatiles in the headspace and allows for faster extraction times. This overview highlights the timeline, applications, and fundamentals of Vac-HS-SPME.


An Overview of the Untargeted Analysis Using LC–MS (QTOF): Experimental Process and Design Considerations

October 2023

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27 Reads

LCGC North America

Untargeted analysis using liquid chromatography with tandem mass spectrometry (LC–MS/MS) chemical profiling has become a valuable tool for providing insight into the variations found in a sample set. However, the large data sets often generated, frequently yielding upwards of 20,000 features or more, can be overwhelming. Key elements in creating an experimental design are one of the most pivotal aspects of verifying statistical variance in a sample set. Therefore, care should be taken when an experimental design is developed and when statistical tools are used to perform data reduction and processing.


Citations (73)


... Currently, custom-designed closures offer gastight seals to commercial 20 mL HS vials, allowing for microextraction sampling under vacuum conditions. If, to date, a few studies have focused on Vac-HS sampling for liquid samples using the SPME technique [25,26], even fewer are proposed for solid samples [27,28]. ...

Reference:

Vacuum-Assisted MonoTrapTM Extraction for Volatile Organic Compounds (VOCs) Profiling from Hot Mix Asphalt
Investigation of operational fundamentals for vacuum-assisted headspace high-capacity solid-phase microextraction and gas chromatographic analysis of semivolatile compounds from a model solid sample
  • Citing Article
  • April 2024

Journal of Separation Science

... Given the relative consistency in significant relationships involving dose levels across studies, our findings highlight that care should be taken in considering doses in nonclinical contexts. However, accurate dose levels can be challenging to determine in recreational contexts, as potency inconsistencies (e.g., levels of psilocybin among different strains of mushrooms) can be prevalent (Beug and Bigwood, 1982;Goff et al., 2024). ...

Determination of psilocybin and psilocin content in multiple Psilocybe cubensis mushroom strains using liquid chromatography – Tandem mass spectrometry
  • Citing Article
  • December 2023

Analytica Chimica Acta

... is not currently routine due to their limited sample capacity, proneness to clog, extremely high back pressure requirements, and complex detector designs. Although not covered in this work, there is a renewed research interest in using capillary electrophoresis as an alternative to liquid chromatography for biomolecules (Marakova et al. 2024). However, current research into greening chromatography needs to remain focused on packed columns for LC and SFC as separations using these techniques remain the most prevalent, practical, and environmentally detrimental. ...

Greenness of proteomic sample preparation and analysis techniques for biopharmaceuticals
  • Citing Article
  • December 2023

TrAC Trends in Analytical Chemistry

... Every vacuum pump is going to operate at different pressures. It is important to note that pressure and vacuum time can change responses; consistent results across different vacuum-assistance set-ups should not be assumed [25]. ...

Vacuum-Assisted Headspace Solid-Phase Microextraction Sampling Method for the Extraction of Semi-Volatile Compounds: An Overview
  • Citing Article
  • November 2023

LCGC North America

... Beyond phylogeny, contiguous genome assembly can assist in answering a broad range of questions, including resolving genetic diversity in secondary metabolite production (Van Court et al., 2022). Analyzing the complete genetic code enables prediction of the mechanisms that govern its growth, development, and psychedelic properties of fungal species (A. ...

Comparison of Fragrance and Flavor Components in Non-Psilocybin and Psilocybin Mushrooms using Vacuum-Assisted Headspace High-Capacity Solid-Phase Microextraction and Gas Chromatography – Mass Spectrometry
  • Citing Article
  • September 2023

Advances in Sample Preparation

... A plethora of methodologies have been presented for the isolation and purification of suitable proteoforms, such as gel-based approaches 19,24 , solid-phase extraction (SPE) 4,25,26 , depletion methods, molecular weight cutoff (MWCO) filters 17,18 and size-exclusion chromatography (SEC) 27,28 . ...

Solid phase extraction as sample pretreatment method for top-down quantitative analysis of low molecular weight proteins from biological samples using liquid chromatography – Triple quadrupole mass spectrometry
  • Citing Article
  • February 2023

Analytica Chimica Acta

... Recent developments in analytical chemistry include dereplication and high content screening (HCS). Dereplication refers to a process for the fast identification of known secondary metabolites in natural products, in which MS-based methods are key to the success of that process [42][43][44], and HCS methods are those that combine automated microscopy with living cell-based assays [45][46][47][48], which allows, e.g., the screening of plant extract libraries and subsequent selection of the best hits based on the phenotypic screening results. However, the isolation of chemical compounds from crude natural extracts remains a major challenge in the field [42]. ...

Measurements of drugs and metabolites in biological matrices using SFC and SFE-SFC-MS
  • Citing Chapter
  • December 2022

... Still, on-line SFE-SFC can be tricky depending on how it is set up, which can be done in various ways and have consequences on chromatographic performance [19] . Various transfer modes exist, as column trapping (with an additional packed column) [20][21][22] , cryo-trapping [23] , loop transfer [24] or top-column concentration (using the analytical column to trap the extract, without any additional column) [25] . With some of these transfer modes, the whole extract can be sent to the chromatographic system, allowing to use a small amount of sample or favoring trace analysis. ...

Streamlined stationary phase selection facilitated by a “sample-plug retention test” in supercritical fluid extraction-supercritical fluid chromatography-mass spectroscopy (SFE-SFC-MS) method development for on-line extraction of anabolic agents
  • Citing Article
  • July 2022

... Prior to injection, the water is combined with a wide variety of chemicals including alcohols, biocides, and surfactants to enhance the recovery of petroleum (Sanchez-Rosario and . This practice generates large volumes of wastewater, commonly known as flowback-produced water (FPW) (Liden et al., 2022). During the first couple of weeks, FPW is typically known as flowback water and its chemical composition reflects the additives used during operations. ...

Characterizing Various Produced Waters from Shale Energy Extraction within the Context of Reuse

Energies

... Crude extracts can be fractionated using conventional liquid chromatography techniques, such as liquid-liquid partitioning, classical or preparative column chromatography, or even solid phase extraction . Another separation technique that has recently gained popularity in natural products chemistry is supercritical fluid chromatography (Kaplitz et al. 2022). Fractionation methods can be adjusted so that sub-fractions preferentially contain compounds with drug-like properties, for example, with moderate hydrophilicity. ...

A Review of Fraction Collection Technology for Supercritical Fluid Chromatography
  • Citing Article
  • March 2022

TrAC Trends in Analytical Chemistry