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Extant fold-switching proteins remodel their secondary structures and change their functions in response to cellular stimuli, regulating biological processes and affecting human health. Despite their biological importance, these proteins remain understudied. Predictive methods are needed to expedite the process of discovering and characterizing more of these shapeshifting proteins. Most previous approaches require a solved structure or all-atom simulations, greatly constraining their use. Here, we propose a high-throughput sequence-based method for predicting extant fold switchers that transition from α-helix in one conformation to β-strand in the other. This method leverages two previous observations: (a) α-helix ↔ β-strand prediction discrepancies from JPred4 are a robust predictor of fold switching, and (b) the fold-switching regions (FSRs) of some extant fold switchers have different secondary structure propensities when expressed by themselves (isolated FSRs) than when expressed within the context of their parent protein (contextualized FSRs). Combining these two observations, we ran JPred4 on 99-fold-switching proteins and found strong correspondence between predicted and experimentally observed α-helix ↔ β-strand discrepancies. To test the overall robustness of this finding, we randomly selected regions of proteins not expected to switch folds (single-fold proteins) and found significantly fewer predicted α-helix ↔ β-strand discrepancies. Combining these discrepancies with the overall percentage of predicted secondary structure, we developed a classifier to identify extant fold switchers (Matthews correlation coefficient of .71). Although this classifier had a high false-negative rate (7/17), its false-positive rate was very low (2/136), suggesting that it can be used to predict a subset of extant fold switchers from a multitude of available genomic sequences.

A third of the 2- and 4-year undergraduates beginning college in 2011-2012 changed their major in the first 3 years of enrollment. Yet, few studies have examined the effects of major switching on student outcomes, particularly in community colleges. Major switching can delay or impede college completion through excess credit accumulation, or it can increase the probability of completion due to a better academic match. Using state administrative data and propensity score matching, we find that major switching increases certificate completion rates but moderately decreases the probability of bachelor's degree completion in community colleges for students who started with a declared major. We suggest that instead of discouraging major switching, institutions should integrate switching into program planning. Policies like common course-sequencing, cross-discipline introductory courses and flexible application of credits can allow students to revise their interests and goals without losing much time, credits, or tuition dollars.

In the field of nanoscience and nanobiotechnology, the use of plant extracts in synthesising metal sulphide nanoparticles has lately come to light as an intriguing issue with several benefits over traditional physicochemical methods. Herein, bio-mediated novel β-In2S3 quantum dots were fabricated using Camellia sinensis var. assamica (tea) leaf extract as a stabilising and capping agent through a facile solvothermal technique to evaluate the photocatalytic and antioxidant characteristics. The prepared green β-In2S3 quantum dots (g-β-In2S3), having a bandgap of 2.0 eV, were employed for the degradation of three major categories of dyes Xanthane (Rhodamine B), Triphenylmethane (Malachite Green), and Azo (Biebrich Scarlet). It also showed excellent antioxidant properties compared to standard ascorbic acid and pure chemically synthesised β-In2S3. The g-β-In2S3 quantum dots were characterised for their crystal structure, morphology, surface functional groups, charge recombination delay, and chemical composition using XRD, PL, FTIR, UV-DRS, SEM, TEM, and XPS analyses. The fabricated material showed high crystallinity of 77.17%, a particle size of 6.97 nm, and spherical morphology. The greenly synthesised β-In2S3 displayed enhanced photocatalytic performance, indicating that bio-synthesis can be a superb method to create flexible and environmentally friendly goods. About 75.28 ± 1.69%, 72.31 ± 1.43%, and 62.21 ± 1.14% for Rhodamine B, Malachite Green, and Biebrich Scarlet could be degraded within 60 min of visible light irradiation via β-In2S3/H2O2 system. The kinetics and the mechanism of the degradation of dyes by g-β-In2S3 are also discussed. This work highlighted the potential of g-β-In2S3 quantum dots for enhanced visible light, advanced oxidation process-assisted degradation of dyes, and outstanding antioxidant properties. [ABSTRACT FROM AUTHOR]

Herein we have reported the fabrication of green SnS2 (g-SnS2) granules via a facile precipitation technique employing Ocimum sanctum (Tulsi) extract as a stabilising and capping agent. The prepared g-SnS2 nanoparticles were characterised through XRD, UV-DRS, PL, BET, XPS, SEM and TEM for their surface morphology and physicochemical properties. It showed enhanced Advanced Oxidation Process (AOP) assisted photodegradation of a cationic (Bismarck Brown R) and anionic (Methyl Orange) azo dyes in the presence of hydrogen peroxide. Maximum degradation of 72.54 ± 1.23% of Bismarck Brown R (BBR) and 69.34 ± 1.22% of methyl orange (MO) with a pseudo-first-order rate constant of 0.02833 min−1 and 0.02576 min−1 for BBR and MO, respectively, within 60 min of visible light irradiation higher than SnS2 nanoparticles synthesised without the use of capping agent. The improved photocatalytic activity was attributed to the rough and defect-rich morphology of the prepared g-SnS2. The humic acid (HA) concentration showed a reduction in the photocatalytic degradation efficiency. The as-synthesised g-SnS2 nanoparticles could serve as a potential material for the degradation of azo dyes from waste water. [ABSTRACT FROM AUTHOR]

Bismuth vanadate (BiVO4) has recently attracted popularity due to its biocompatibility and catalytic nature. The proposed work concerns producing BiVO4 nanoparticles (NPs) from cow urine (CoU) through the green chemistry protocol. The optical and textural features of the synthesized BiVO4 NPs were carefully studied employing XRD, FTIR, UVDRS, FESEM, EDX, and HRTEM analyses. As investigated by XRD data, the formation of monoclinic scheelite BiVO4 NPs with a mean size of 38.1 nm was observed. From the FESEM and HRTEM microimages, spherically shaped morphology was observed. FTIR spectrum studied the functional group analysis, and EDX analysis revealed the existence of elements Bi, O, and V. The band gap energy of BiVO4 NPs was ascertained from DRS data to be 2.37 eV, which was adequate for investigating it as a sunlight-driven photocatalyst. Moreover, the antioxidant performance of BiVO4 NPs was assessed using a DPPH assay in a dose-dependent manner, revealing an IC50 value of 117 μg/mL. Furthermore, the cytotoxic efficacy of BiVO4 NPs was measured on MCF-7 cancer cell lines, and the IC50 value was reported as 94.46 μg/mL. In continuation, the photocatalytic effectiveness of BiVO4 NPs through the degradation of ofloxacin (OFL) antibiotic was studied under sunlight and noticed 87.93% of degradation within 150 min. Thus, this is the first report on BiVO4 NPs synthesized using CoU that could be explored as a promising eco-benign and versatile material for photocatalytic and biomedical applications. [ABSTRACT FROM AUTHOR]

Herein, fly ash was utilized and pretreated hydrothermally to tailor the surface characteristics. Further, a novel CaMn2O4/fly ash (CMFA) was fabricated via a facile co-precipitation route for effective sunlight utilization. Egg shells were used as a calcium precursor for the fabrication of CaMn2O4/fly ash to reduce the dependency on chemicals, which marks the novelty of this work. The photocatalytic activity of CMFA composites for the abatement of ofloxacin was tested without using any oxidizing or reducing agents. CMFA composite shows highest 88.57 ± 1.0% efficiency with a rate constant of 0.00891 min−1 as compared to pristine fly ash (78.2 ± 1.2% with rate constant 0.00671 min−1). The experiment results suggest a decrease in the band gap of the CMFA composite (1.9 eV) (compared to pristine fly ash (2.9 eV)) and an increase in the light-harvesting capacity, thus enhancing photocatalytic activity. Moreover, the photoluminescence study shows that CaMn2O4 on fly ash surfaces decreases the charge recombination rate and increases the electron-hole separation. Scavenger test reveals that the hydroxyl and superoxide anion radicals were the active oxygen species for pollutants degradation. Additionally, various effects like anion, cation, water matrix, and organic compounds have been studied. Moreover, the photocatalyst shows excellent reusability after five cycles, which shows its remarkable stability. [ABSTRACT FROM AUTHOR]

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