Ultra-high permeable phenine nanotube membranes for water desalination

Nanopore desalination technology hinges on high water-permeable membranes which, at the same time, block ions efficiently. In this study, we consider a recently synthesized [Science 363, 151-155 (2019)] phenine nanotube (PNT) for water desalination applications. Using both equilibrium and non-equilibrium molecular dynamics simulations, we show that the PNT membrane completely rejects salts, but permeates water at a rate which is an order-of-magnitude higher than that of all the membranes used for water filtration. We provide the microscopic mechanisms of salt rejection and fast water-transport by calculating the free-energy landscapes and electrostatic potential profiles. A collective diffusion model accurately predicts the water permeability obtained from the simulations over a wide range of pressure gradients. We propose a method to calculate the osmotic water permeability from the equilibrium simulation data and find that it is very high for the PNT membrane. These remarkable properties of PNT can be applied in various nanofluidic applications, such as ion-selective channels, ionic transistors, sensing, molecular sieving, and blue energy harvesting.Comment: 23 pages, 5 figure

Circular economy practices and environmental performance: Analysing the role of big data analytics capability and responsible research and innovation

This study employs dynamic capability view theory to comprehend the interplay between big data analytics capability (BDAC), responsible research and innovation (RRI) and circular economy practices (CEPs) as an execution strategy for improving environmental performance. The study uses partial least square structural equation modelling to analyse primary survey data collected from 326 manufacturers. The results indicate that BDAC, RRI and CEPs favourably affect environmental performance. Notably, RRI emerges as the most influential factor among the three. Furthermore, the findings suggest that implementing CEPs serves as a partial mediator for the influence of BDAC and RRI on environmental performance. Surprisingly, the study finds that the moderating impact of resource commitment is not statistically significant in any of the three pairwise interactions involving BDAC, RRI and CEPs with respect to environmental performance. The results have various intriguing implications for how manufacturers can enhance their circular economy strategies to achieve better environmental performance, representing a noteworthy contribution to the foundational theory of the dynamic capability view. Finally, these findings also provide valuable insights to managers, enabling a deeper understanding of the determinants that contribute to deploying CEPs and improving environmental performance within a manufacturing setting.publishedVersio

Charge Matters: Mutations in Omicron Variant Favor Binding to Cells

Evidence is strengthening to suggest that the novel SARS-CoV-2 mutant Omicron, with its more than 60 mutations, will spread and dominate worldwide. Although the mutations in the spike protein are known, the molecular basis for why the additional mutations in the spike protein that have not previously occurred account for Omicron's higher infection potential, is not understood. We propose, based on chemical rational and molecular dynamics simulations, that the elevated occurrence of positively charged amino acids in certain domains of the spike protein (Delta: +4; Omicron: +5 vs. wild type) increases binding to cellular polyanionic receptors, such as heparan sulfate due to multivalent charge-charge interactions. This observation is a starting point for targeted drug development

Mobile health application based intervention for improvement of quality of life among newly diagnosed type 2 diabetes patients

Background. Diabetes and its complications arebecominga major threat to public health. Quality of lifeamong diabetes patients is not optimum.Objective. To know the usefulness of the mobile healthapplication for improvement of QoL and diabetes selfmanagementactivities of the type 2 diabetes patients. Methods. The present study was conducted in a tertiarycare hospital for 2 years from October 2016 to October2018. In this study, 66 newly diagnosed type 2 diabetespatients, educated, techno-friendly smart phone users,aged between 18–60 years, were included. Theywere allocated to intervention and control group byblock randomization method. Intervention group wasallotted to use the android application and controlgroup was allotted to use the website. The data wereimported and analyzed by SPSS v 20. Results. Overall quality of life and general health was70.26 ± 16.51; for physical health it was 59.52 ± 7.15,for psychological it was 63.38 ± 9.2, for social relationsit was 74.87 ± 13.98 and for environment it was 71.87 ±± 8.38. The score of overall quality of life was increasedin both control and intervention group during follow-ups.It was found that there was significant improvement inglucose management, dietary control, physical activity,health care use and sum score. Wilk’s lambda was significantfor HbA1c both in control and intervention group. Conclusions. Mobile-based applications with focusingon diabetes self-management education may supportto reduce the complications of diabetes and improvethe QoL of diabetes patients

Harnessing the power of nutritional antioxidants against adrenal hormone imbalance-associated oxidative stress

Oxidative stress, resulting from dysregulation in the secretion of adrenal hormones, represents a major concern in human health. The present review comprehensively examines various categories of endocrine dysregulation within the adrenal glands, encompassing glucocorticoids, mineralocorticoids, and androgens. Additionally, a comprehensive account of adrenal hormone disorders, including adrenal insufficiency, Cushing’s syndrome, and adrenal tumors, is presented, with particular emphasis on their intricate association with oxidative stress. The review also delves into an examination of various nutritional antioxidants, namely vitamin C, vitamin E, carotenoids, selenium, zinc, polyphenols, coenzyme Q10, and probiotics, and elucidates their role in mitigating the adverse effects of oxidative stress arising from imbalances in adrenal hormone levels. In conclusion, harnessing the power of nutritional antioxidants has the potential to help with oxidative stress caused by an imbalance in adrenal hormones. This could lead to new research and therapeutic interventions

Potential of X-ray imaging to detect citrus granulation in different cultivars with progress in harvesting time

263-268Granulation, a physiological disorder of citrus is manifested by shriveled juice sacs and internal dryness. Extractable juice in granulated tissue is drastically reduced as a consequence of gelatinization and secondary epidermis formation. Since, the defect cannot be detected externally it leads to consumer dissatisfaction and poor returns to farmers. Processing industry also faces huge economic loss due to reduction in the juice recovery from granulated fruit. In this context, here, we studied the possibility of developing an image processing algorithm through MATLAB software to detect granulation with advancement of maturity via X-ray micrographs. Fruit of eight citrus cultivars comprising of granulation susceptible and tolerant varieties harvested at four different intervals were exposed to X-rays. Voltage of 46 kV and current of 6.5 mA given to fruit for an exposure time of 320 mAs gave the best X-ray image contrasts. The developed algorithm could effectively distinguish the healthy and granulated fruit with an accuracy of 90% as validated by subsequent destructive analysis when estimated for four different harvesting dates. The imaging technique can be employed by the processors to determine the severity of granulation and to sort out fruit online which will help in saving economic losses

Rational design of amphiphilic fluorinated peptides: evaluation of self-assembly properties and hydrogel formation

Advanced peptide-based nanomaterials composed of self-assembling peptides (SAPs) are of emerging interest in pharmaceutical and biomedical applications. The introduction of fluorine into peptides, in fact, offers unique opportunities to tune their biophysical properties and intermolecular interactions. In particular, the degree of fluorination plays a crucial role in peptide engineering as it can be used to control the characteristics of fluorine-specific interactions and, thus, peptide conformation and self-assembly. Here, we designed and explored a series of amphipathic peptides by incorporating the fluorinated amino acids (2S)-4-monofluoroethylglycine (MfeGly), (2S)-4,4-difluoroethylglycine (DfeGly) and (2S)-4,4,4-trifluoroethylglycine (TfeGly) as hydrophobic components. This approach enabled studying the impact of fluorination on secondary structure formation and peptide self-assembly on a systematic basis. We show that the interplay between polarity and hydrophobicity, both induced differentially by varying degrees of side chain fluorination, does affect peptide folding significantly. A greater degree of fluorination promotes peptide fibrillation and subsequent formation of physical hydrogels in physiological conditions. Molecular simulations revealed the key role played by electrostatically driven intra-chain and inter-chain contact pairs that are modulated by side chain fluorination and give insights into the different self-organization behaviour of selected peptides. Our study provides a systematic report about the distinct features of fluorinated oligomeric peptides with potential applications as peptide-based biomaterials