ABSTRACT
Determining bulk moduli is central to high-throughput screening of ultraincompressible materials. However, existing approaches are either too inaccurate or too expensive for general applications, or they are limited to narrow chemistries. Here we define a microscopic quantity to measure the atomic stiffness for each element in the periodic table. Based on this quantity, we derive an analytic formula for bulk modulus prediction. By analyzing numerous crystals from first-principles calculations, this formula shows superior accuracy, efficiency, universality, and interpretability compared to previous empirical/semiempirical formulae and machine learning models. Directed by our formula predictions and verified by first-principles calculations, 47 ultraincompressible crystals rivaling diamond are identified from over one million material candidates, which extends the family of known ultraincompressible crystals. Finally, treasure maps of possible elemental combinations for ultraincompressible crystals are created from our theory. This theory and insights provide guidelines for designing and discovering ultraincompressible crystals of the future.
ABSTRACT
Heavy metal ion (HMI) in wastewater is a kind of resource that is wrongly placed. Recovery of heavy metal from lead-acid wastewater desires efficient and reusable functional materials. In this paper, graphene oxide-like with diazanyl groups (GOLA) was synthesized by a nucleophilic substitution reaction of graphene oxide-like with hydroxyl groups (GOLH) with diazane. GOLA exhibited good stability and recyclability in wastewater. The maximal adsorption capacity (qmax) values of GOLA for Pb(II), Cd(II), Cu(II), Ni(II), and Cr(III) ions were 505.80, 401.99, 83.48, 82.29, and 147.77 mg/g, respectively. The equilibrium time of GOLA adsorbing HMIs was 20 min. GOLA was employed to recover lead ions from lead-acid wastewater to give Pb(OH)2 and reusable water. Therefore, this paper provides a useful method of recycling lead from lead-acid wastewater.
Subject(s)
Metals, Heavy , Water Pollutants, Chemical , Wastewater , Lead , Water Pollutants, Chemical/analysis , Metals, Heavy/analysis , Water , Adsorption , Kinetics , Hydrogen-Ion ConcentrationABSTRACT
BACKGROUND: Patients suffering from major depressive disorder (MDD) commonly demonstrate lower performance across multiple cognitive domains. Cognitive impairment is an intrinsic characteristic of MDD status and is often influenced by genetic factors. microRNAs (miRNAs or miRs) have been shown to have important implications in the etiology of MDD. Therefore, we aimed to identify and analyze the impact of expression and genetic variation of miR-34b/c on cognitive dysfunction in MDD. METHODS: First, we analyzed miR-34c-5p expression in 48 cases of MDD and 54 healthy controls in a Chinese population using qRT-PCR. We assessed the relationship between the level of miR-34c-5p expression and cognitive performance by Repeatable Battery for the Assessment of Neuropsychological Status (RBANS) and the Trail Making Test (TMT). Second, in order to characterize allelic effects of miR-34b/c on cognitive performance in MDD patients, we performed genetic association analysis of single-nucleotide polymorphism (SNP) loci of the MIR34B/C genes with cognitive function in a second group consisting of 531 MDD patients and 267 healthy controls. RESULTS: We found a significant negative correlation between the level of miR-34c-5p expression and both the language and delayed memory index scores in patients with MDD. We also found a significant positive correlation between the level of miR-34c-5p expression and the time required to complete tests A and B of the TMT. The interaction between the rs2187473 genotype and the disease was significant for both immediate memory and delayed memory. In the patient group, the rs2187473 CC genotype was significantly associated with higher performance on immediate memory (F = 6.683, p < 0.05) and delayed memory tasks (F = 4.221, p < 0.05). CONCLUSION: Our findings suggest that changes in miR-34c expression level have important impacts on cognitive function in patients with MDD. In particular, the polymorphism rs2187473 is a potential genetic risk factor for cognitive function in MDD, which may be of clinical use.
ABSTRACT
PURPOSE: We used fractional amplitude of low-frequency fluctuations (fALFF) and gray matter volume (GMV) jointly to explore the mechanism of brain function and structure in unmedicated patients with bipolar disorder (BD). METHODS: Thirty first episode drug-naive patients with and thirty healthy controls (HCs) were recruited in this study; All the subjects underwent Magnetic Resonance Imaging (MRI) scanning and performed the Repeatable Battery for the Assessment of Neuropsychological Status (RBANS), all the patients with MDD finished the 17-item Hamilton Depression Rating Scale (HAMD17). Data Processing and Analysis for Brain Imaging (DPABI) and SPM8 were used to find potential differences in fALFF and GMV between the two groups. A Pearson correlation model was used to analyze associations of functional and morphometric changes with clinical symptoms and cognitive tests. RESULTS: Compared to healthy controls, the BD group had significantly reduced fALFF values in the lingual gyrus and increased fALFF values in the bilateral superior frontal gyrus and superior frontal gyrus. With regards to VBM, patients with BD showed significant GMV decreases in the bilateral superior temporal gyrus, bilateral superior frontal gyrus, right superior frontal gyrus, right parahippocampal gyrus and precuneus. Additionally, we found an overlap of brain regions focused on the left SFG. Significant negative correlations were observed between abnormal GMV values in the left SFG and vocabulary memory. CONCLUSION: The superior frontal gyrus was the site of the most robust and reliable abnormality, with an overlap of abnormal structural and functional MRI features that play an important role in pathology in BD.
