Mapping the Space of Inorganic and Hybrid Halides and Their Optical Properties Using Mechanochemistry and First-Principles Calculations

Inorganic and hybrid metal halides (MHs) are a class of ionic compounds that attract growing interest due to their richness of structure, properties, and resulting applications. These are largely ionic in nature and hence dominantly follow solid-state synthesis reactions rather than the solution approach. Keeping the importance of these materials in mind, herein, combination reactions of compounds via mechanochemistry is considered as a universal synthetic approach for the synthesis of MHs, and a library of MHs, including all inorganic MHs, ternary (A–B–X) MHs, enormous number of quaternary MHs based on representative 10 double perovskites (A–B–B′–X), and most of the hybrid ones based on randomly selected 49 samples as representative from the 1300 ones, are reported. The fundamental structure–property relationships are well revealed, where most of the MHs exhibit bright photoluminescence and/or magnetic properties for a few materials. Hence, the adopted concept of material design and related with their crystal structure and material properties for such a large number of halide materials not only help in building a library but also provide fundamental guidance to develop new MH materials with selective optoelectronic and magnetic properties.

Table_2_Association of pro-inflammatory diet with increased risk of gallstone disease: a cross-sectional study of NHANES January 2017–March 2020.DOCX

Background and aimGallstone disease (GSD) is a major public health problem worldwide. The dietary inflammatory index (DII) and the energy-adjusted DII (E-DII) have been used to describe dietary inflammatory potential. The current study sought to investigate the pro-inflammatory role of diet on GSD among outpatients in the United States.MethodsCross-sectional data from 7,334 individuals older than 20 years who participated in the National Health and Nutrition Examination Survey (NHANES) from January 2017 to March 2020 were obtained. The relationship between GSD and DII was assessed using self-reported data. An association between DII and the risk of GSD was determined using sample-weighted logistic regression and restricted cubic splines (RCS). Subgroup analyzes were conducted to assess the interaction between DII and related factors. Sensitivity analysis was further used to confirm the stability of the relationship. To control for the effect of total energy intake, E-DII was calculated and analyzed.ResultsA total of 10.5% of the study participants had GSD. The DII ranged from −5.52 to 5.51, and the median DII was significantly higher for participants with GSD than those without (1.68 vs. 1.23, p ConclusionHigher DII/E-DII scores linked to the intake of a pro-inflammatory diet were positively associated with a higher risk of GSD. These findings suggest that pro-inflammatory dietary patterns can promote the formation of gallstones.</p

Table_1_Association of pro-inflammatory diet with increased risk of gallstone disease: a cross-sectional study of NHANES January 2017–March 2020.DOCX

Background and aimGallstone disease (GSD) is a major public health problem worldwide. The dietary inflammatory index (DII) and the energy-adjusted DII (E-DII) have been used to describe dietary inflammatory potential. The current study sought to investigate the pro-inflammatory role of diet on GSD among outpatients in the United States.MethodsCross-sectional data from 7,334 individuals older than 20 years who participated in the National Health and Nutrition Examination Survey (NHANES) from January 2017 to March 2020 were obtained. The relationship between GSD and DII was assessed using self-reported data. An association between DII and the risk of GSD was determined using sample-weighted logistic regression and restricted cubic splines (RCS). Subgroup analyzes were conducted to assess the interaction between DII and related factors. Sensitivity analysis was further used to confirm the stability of the relationship. To control for the effect of total energy intake, E-DII was calculated and analyzed.ResultsA total of 10.5% of the study participants had GSD. The DII ranged from −5.52 to 5.51, and the median DII was significantly higher for participants with GSD than those without (1.68 vs. 1.23, p ConclusionHigher DII/E-DII scores linked to the intake of a pro-inflammatory diet were positively associated with a higher risk of GSD. These findings suggest that pro-inflammatory dietary patterns can promote the formation of gallstones.</p