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Molecules (Basel, Switzerland) Jan 2023The formation of the inclusion complex between β-cyclodextrin (CD) and phenolphthalein (PP) was investigated by means of UV-Vis and FT-IR spectroscopies. The...
The formation of the inclusion complex between β-cyclodextrin (CD) and phenolphthalein (PP) was investigated by means of UV-Vis and FT-IR spectroscopies. The thermodynamic parameters were calculated in the absence and presence of LiI, KI, NaI and CsI iodide salts. The enthalpy change during the formation was found to be negative for all solutions with iodide salts. The enthalpy change was found to decrease in the sequence no salt > NaI > KI> CsI > LiI. Moreover, it was observed that with increasing salt concentration enthalpy decreases monotonically. The interaction between the two molecules was mostly attributed to hydrogen bonding and Van der Waals interactions. Thermodynamic properties revealed that electrostatic forces also contribute when LiI is present in solutions. A molecular docking study was performed to elucidate the docking between phenolphthalein and cyclodextrin. The FT-IR spectra of CD, PP and the CD-PP complex were recorded to establish the formation of the inclusion complex. Semi-empirical and DFT methods were utilized to study theoretically the complexation process and calculate the IR vibrational spectra. The adequate agreement between theoretical and experimental results supports the proposed structural model for the CD-PP complexation.
PubMed: 36770813
DOI: 10.3390/molecules28031147 -
Vaccine Jan 2023Amid the COVID-19 pandemic, the scientific community has been understandably eager to combat misinformation about issues such as vaccine safety. In highly polarized...
Amid the COVID-19 pandemic, the scientific community has been understandably eager to combat misinformation about issues such as vaccine safety. In highly polarized information environments, however, even well-intentioned messages have the potential to produce adverse effects. In this study, we connect different disciplinary strands of social science to derive and experimentally test the novel hypothesis that although particular efforts to debunk misinformation about mRNA vaccines will reduce relevant misperceptions about that technology, these correctives will harm attitudes toward other types of vaccines. We refer to this as the "collateral damage hypothesis." Our study specifically examines a corrective message stating that "mRNA vaccines do not contain live virus," and our results offer some support for our hypothesis, with the corrective triggering increased societal risk perceptions of live vaccines. We also find that the effect is, predictably, most evident among those whose vaccine acceptance is low. Building on the theoretical grounding we outline, we test a "damage control" adjustment to the corrective message and present evidence supporting that it mitigates the collateral damage.
Topics: Humans; Pandemics; COVID-19; Dioctyl Sulfosuccinic Acid; Drug-Related Side Effects and Adverse Reactions; Phenolphthalein; mRNA Vaccines; Communication
PubMed: 36682880
DOI: 10.1016/j.vaccine.2022.12.045 -
Polymers Jan 2023With the rapid pace of advancements in additive manufacturing and techniques such as fused filament fabrication (FFF), the feedstocks used in these techniques should...
With the rapid pace of advancements in additive manufacturing and techniques such as fused filament fabrication (FFF), the feedstocks used in these techniques should advance as well. While available filaments can be used to print highly customizable parts, the creation of the end part is often the only function of a given feedstock. In this study, novel FFF filaments with inherent environmental sensing functionalities were created by melt-blending poly(lactic acid) (PLA), poly(ethylene glycol) (PEG), and pH indicator powders (bromothymol blue, phenolphthalein, and thymol blue). The new PLA-PEG-indicator filaments were universally more crystalline than the PLA-only filaments (33-41% vs. 19% crystallinity), but changes in thermal stability and mechanical characteristics depended upon the indicator used; filaments containing bromothymol blue and thymol blue were more thermally stable, had higher tensile strength, and were less ductile than PLA-only filaments, while filaments containing phenolphthalein were less thermally stable, had lower tensile strength, and were more ductile. When the indicator-filled filaments were exposed to acidic, neutral, and basic solutions, all filaments functioned as effective pH sensors, though the bromothymol blue-containing filament was only successful as a base indicator. The biodegradability of the new filaments was evaluated by characterizing filament samples after aging in soil and soil slurry mixtures; the amount of physical deterioration and changes in filament crystallinity suggested that the bromothymol blue filament degraded faster than PLA-only filaments, while the phenolphthalein and thymol blue filaments saw decreases in degradation rates.
PubMed: 36679315
DOI: 10.3390/polym15020436 -
Pharmaceutical Biology Dec 2023Linnaeus (Bombacaceae) is known as silk cotton tree, the flowers of which are used in many medicinal applications.
CONTEXT
Linnaeus (Bombacaceae) is known as silk cotton tree, the flowers of which are used in many medicinal applications.
OBJECTIVE
To investigate the therapeutic effect of flower aqueous extracts (BCE) against loperamide-induced constipation and characterize the chemical composition of BCE.
MATERIALS AND METHODS
Sixty male Kunming mice were divided into control (saline), model (10 mg/kg loperamide + saline), phenolphthalein (10 mg/kg loperamide + 10 mg/kg phenolphthalein) and different dosage of BCE (10 mg/kg loperamide + 40, 80 and 160 mg/kg BCE, respectively) groups, and received intragastric administrations for eight days. Faecal water content, number of faeces, first black-stool defecation time and gastrointestinal transit rates were evaluated. Various biochemical and molecular biomarkers were assessed in blood and colon. UPLC-ESI-QTOF-MS/MS was used to tentatively identify the composition of the BCE.
RESULTS
BCE treatment (160 mg/kg) could increase faecal water (15.75%), faeces number (11.65%), gastrointestinal transit rate (25.37%) and decrease first black-stool defecation time (24.04%). The BCE (80 mg/kg) increased the serum level of motilin (30.62%), gastrin (54.46%) and substance P (18.99%), and decreased somatostatin (19.47%). Additionally, the BCE (160 mg/kg) reduced the mucosal damage, restored colonic goblet cell function, down-regulated the protein expression of AQP (33.60%) and increased c-kit protein expression (11.63%). Twelve known compounds, including protocatechuic acid, chlorogenic acid and rutin, previously reported in were identified in the BCE.
DISCUSSION AND CONCLUSIONS
This study suggested that BCE is a promising agent for the treatment of constipation.
Topics: Mice; Animals; Loperamide; Bombax; Tandem Mass Spectrometry; Constipation; Flowers; Water; Phenolphthaleins
PubMed: 36582187
DOI: 10.1080/13880209.2022.2157841 -
Frontiers in Microbiology 2022The aim of this study was to investigate the effects of subsp VHProbi YB11 (YB11) on attenuating sucralfate-induced constipation in BALB/c mice. The strain of YB11...
INTRODUCTION
The aim of this study was to investigate the effects of subsp VHProbi YB11 (YB11) on attenuating sucralfate-induced constipation in BALB/c mice. The strain of YB11 exhibited favorable tolerance of simulated gastrointestinal (GI) juice. Only 0.42 Log value declined when the live cells of YB11 were co-incubated with simulated GI juice. Meanwhile, this strain also displayed perfect ability to adhere the intestinal epithelium Caco-2 cells with adhesion index of 18.5. 24 of female mice were randomized into four groups.
METHODS
The normal group (NOR) was fed with a normal diet, whereas the placebo group (PLA), positive group (POS), and probiotic group (PRO) were fed with sucralfate to induce constipation. After first successfully establishing the constipation model, groups NOR and PLA received the oral administration of saline solutions. Meanwhile, the POS and PRO groups were orally administered phenolphthalein and YB11 suspensions, respectively. Several indices, including fecal water content, GI transit time, short-chain fatty acids (SCFAs), intestinal neuropeptides level, and histopathology of colonic tissues, were investigated.
RESULTS AND DISCUSSION
Compared with PLA, YB11 had a positive effect in increasing the fecal water content and intestinal peristalsis. Some positive trends, including the acetic and total acids level of fecal samples, and the colonic tissue histopathology, were also observed. Furthermore, YB11 had an ability to upregulate the levels of gut excitatory neuropeptides including motilin, gastrin, and substance P, whereas it downregulated the levels of inhibitory neuropeptides including endothelin-1, somatostatin, and vasoactive intestinal peptide. We conclude that the strain YB11 has a positive impact on improving gastrointestinal mobility and reducing the severity of constipation.
PubMed: 36532450
DOI: 10.3389/fmicb.2022.1040371 -
Sensors (Basel, Switzerland) Dec 2022On the example of a control system for an unmanned aerial vehicle, we consider the problems of filtering, smoothing and restoring derivatives of reference action...
On the example of a control system for an unmanned aerial vehicle, we consider the problems of filtering, smoothing and restoring derivatives of reference action signals. These signals determine the desired spatial path of the plant at the first approximation. As a rule, researchers have considered these problems separately and have used different methods to solve each of them. The paper aims to develop a unified approach that provides a comprehensive solution to mentioned problems. We propose a dynamic admissible path generator. It is constructed as a copy of the canonical control plant model with smooth and bounded sigmoid corrective actions. For the deterministic case, a synthesis procedure has been developed, which ensures that the output variables of the generator track a non-smooth reference signal. Moreover, it considers the constraints on the velocity and acceleration of the plant. As a result, the generator variables produce a naturally smoothed spatial curve and its derivatives, which are realizable reference actions for the plant. The construction of the generator does not require exact knowledge of the plant parameters. Its dynamic order is less than that of the standard differentiators. We confirm the effectiveness of the approach by the results of numerical simulation.
Topics: Acceleration; Computer Simulation; Dioctyl Sulfosuccinic Acid; Knowledge; Phenolphthalein
PubMed: 36502174
DOI: 10.3390/s22239472 -
Analytical Sciences : the International... Apr 2023The Public Health Center in Chiba Prefecture, Japan, received a consultation from a resident of Chiba Prefecture who consumed a diet jelly health food product and...
The Public Health Center in Chiba Prefecture, Japan, received a consultation from a resident of Chiba Prefecture who consumed a diet jelly health food product and experienced health problems. To investigate the cause of the health problems, we examined the two food products for the presence of pharmaceutical ingredients. A screening analysis using ultra-high-performance liquid chromatography with a photodiode array detector (UPLC-PDA) indicated the presence of sibutramine and phenolphthalein in the food product. Analysis using an ultra-high-performance liquid chromatography-quadrupole-Kingdon trap mass spectrometer (UHPLC-Q-Kingdon trap MS) confirmed the presence of sibutramine and phenolphthalein. Quantitative analysis using UPLC-PDA showed that sibutramine and phenolphthalein were present at 15 and 16 mg/bag and 2.4 and 2.6 mg/bag, respectively. According to the drug insert for sibutramine capsules in the United States, the recommended medicinal dose of sibutramine should not exceed 15 mg/day, and the amount ingested in the present case exceeded that value. The present study results indicated that ingestion of the jelly health food product may cause health problems.
Topics: Humans; Phenolphthalein; Chromatography, High Pressure Liquid; Mass Spectrometry; Diet
PubMed: 36472786
DOI: 10.1007/s44211-022-00217-0 -
Scientific Reports Nov 2022Factors that increase estrogen or progesterone (P4) action are well-established as increasing breast cancer risk, and many first-line treatments to prevent breast cancer...
Factors that increase estrogen or progesterone (P4) action are well-established as increasing breast cancer risk, and many first-line treatments to prevent breast cancer recurrence work by blocking estrogen synthesis or action. In previous work, using data from an in vitro steroidogenesis assay developed for the U.S. Environmental Protection Agency (EPA) ToxCast program, we identified 182 chemicals that increased estradiol (E2up) and 185 that increased progesterone (P4up) in human H295R adrenocortical carcinoma cells, an OECD validated assay for steroidogenesis. Chemicals known to induce mammary effects in vivo were very likely to increase E2 or P4 synthesis, further supporting the importance of these pathways for breast cancer. To identify additional chemical exposures that may increase breast cancer risk through E2 or P4 steroidogenesis, we developed a cheminformatics approach to identify structural features associated with these activities and to predict other E2 or P4 steroidogens from their chemical structures. First, we used molecular descriptors and physicochemical properties to cluster the 2,012 chemicals screened in the steroidogenesis assay using a self-organizing map (SOM). Structural features such as triazine, phenol, or more broadly benzene ramified with halide, amine or alcohol, are enriched for E2 or P4up chemicals. Among E2up chemicals, phenol and benzenone are found as significant substructures, along with nitrogen-containing biphenyls. For P4up chemicals, phenol and complex aromatic systems ramified with oxygen-based groups such as flavone or phenolphthalein are significant substructures. Chemicals that are active for both E2up and P4up are enriched with substructures such as dihydroxy phosphanedithione or are small chemicals that contain one benzene ramified with chlorine, alcohol, methyl or primary amine. These results are confirmed with a chemotype ToxPrint analysis. Then, we used machine learning and artificial intelligence algorithms to develop and validate predictive classification QSAR models for E2up and P4up chemicals. These models gave reasonable external prediction performances (balanced accuracy ~ 0.8 and Matthews Coefficient Correlation ~ 0.5) on an external validation. The QSAR models were enriched by adding a confidence score that considers the chemical applicability domain and a ToxPrint assessment of the chemical. This profiling and these models may be useful to direct future testing and risk assessments for chemicals related to breast cancer and other hormonally-mediated outcomes.
Topics: United States; Humans; Progesterone; Cheminformatics; Artificial Intelligence; Benzene; Neoplasm Recurrence, Local; Estrogens; Phenols; Phenol; Ethanol; Amines
PubMed: 36450809
DOI: 10.1038/s41598-022-24889-w -
Materials (Basel, Switzerland) Nov 2022Investigation of the neutralizing behavior of concrete is essential, as it can help reveal the durability properties of concrete structures. In this paper, anthocyanin...
Investigation of the neutralizing behavior of concrete is essential, as it can help reveal the durability properties of concrete structures. In this paper, anthocyanin extracted from February orchid (F. orchid) petals was used to characterize the neutralized (carbonated, leached, and sulfate-attacked) regions of cement-based materials. The durability of F. orchid indicator was evaluated through comparison between discoloring behaviors of fresh and aged F. orchid indicators, and the capability of the new indicator in neutralization characterization was then verified by combining indicator (phenolphthalein, malachite green, indigo carmine, or thymolphthalein) spray, X-ray computed tomography (CT), and the X-ray attenuation method (XRAM). The result in the present study showed that, with a lower color intensity as compared to phenolphthalein/thymolphthalein, F. orchid indicator was less preferable in studying carbonation but a better choice in characterizing leaching and sulfate attack of cement-based materials. In addition, a sharp carbonation front was revealed in the present study, suggesting that the carbonation process in this study was controlled mainly by diffusion. For leaching and sulfate attack, the broader fronts revealed suggested that both processes were co-controlled by diffusion and reaction. The current work serves as a 'leap' toward the application of natural pigments in analyzing the durability of concrete structures.
PubMed: 36431516
DOI: 10.3390/ma15228033 -
Current Opinion in Psychology Dec 2022Sexual and romantic orientations and identities exist along a spectrum with varying degrees of compliance to traditional concepts of sex and romance. Recent... (Review)
Review
Sexual and romantic orientations and identities exist along a spectrum with varying degrees of compliance to traditional concepts of sex and romance. Recent investigations have focused on individuals who are not exclusive in their sexual and romantic lives-mostly straights and mostly gays/lesbians. Multi-disciplinary research reveals the diversity of individuals' internal and external sexual and romantic feelings and expressions. One corrective strategy is to scrap categorically based assessment tools and replace them with continuum measures that capture the multiplicity of individuals' sexual and romantic lives. Here I suggest several new measures that are more responsive to a spectrum approach.
Topics: Male; Female; Humans; Sexual and Gender Minorities; Dioctyl Sulfosuccinic Acid; Emotions; Phenolphthalein
PubMed: 36427401
DOI: 10.1016/j.copsyc.2022.101503