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An asymmetric strategy is a constructive means to regulate the energy and properties of energetic materials. In this work, a series of asymmetric energetic compounds based on bi(1,2,4-triazole) were designed and synthesized, and the related structural features and performances were systematically investigated by NMR spectroscopy, FT-IR spectroscopy, MS, EA, and DSC for their impact on asymmetric functional groups. Among them, a single trinitromethyl group-modified energetic compound termed "TNBN" was confirmed by X-ray single-crystal diffraction analysis. Benefiting from the asymmetric trinitromethyl groups, the structure of TNBN showed a unique stacking pattern, and exhibited good detonation performance (8787 m s−1 and 31.1 GPa) and acceptable insensitivity to mechanical stimuli (IS = 30 J and FS = 288 N) compared with its similar symmetric counterparts. This work aids understanding of the structure–performance relationship of asymmetric energetic compounds and demonstrates that appropriate modulation of the asymmetric trinitromethyl group is an effective approach to achieve high-energy insensitive energetic materials. [ABSTRACT FROM AUTHOR]

This study aimed to identify possible pathogenic genes in a 90-member family with a rare combination of multiple neurodegenerative disease phenotypes, which has not been depicted by the known neurodegenerative disease. We performed physical and neurological examinations with International Rating Scales to assess signs of ataxia, Parkinsonism, and cognitive function, as well as brain magnetic resonance imaging scans with seven sequences. We searched for co-segregations of abnormal repeat-expansion loci, pathogenic variants in known spinocerebellar ataxia-related genes, and novel rare mutations via whole-genome sequencing and linkage analysis. A rare co-segregating missense mutation in the CARS gene was validated by Sanger sequencing and the aminoacylation activity of mutant CARS was measured by spectrophotometric assay. This pedigree presented novel late-onset core characteristics including cerebellar ataxia, Parkinsonism, and pyramidal signs in all nine affected members. Brain magnetic resonance imaging showed cerebellar/pons atrophy, pontine-midline linear hyperintensity, decreased rCBF in the bilateral basal ganglia and cerebellar dentate nucleus, and hypo-intensities of the cerebellar dentate nuclei, basal ganglia, mesencephalic red nuclei, and substantia nigra, all of which suggested neurodegeneration. Whole-genome sequencing identified a novel pathogenic heterozygous mutation (E795V) in the CARS gene, meanwhile, exhibited none of the known repeat-expansions or point mutations in pathogenic genes. Remarkably, this CARS mutation causes a 20% decrease in aminoacylation activity to charge tRNACys with L-cysteine in protein synthesis compared with that of the wild type. All family members carrying a heterozygous mutation CARS (E795V) had the same clinical manifestations and neuropathological changes of Parkinsonism and spinocerebellar-ataxia. These findings identify novel pathogenesis of Parkinsonism-spinocerebellar ataxia and provide insights into its genetic architecture. [ABSTRACT FROM AUTHOR]

The design of novel energetic compounds constitutes a pivotal research direction within the field of energetic materials. However, exploring the intricate relationship between their molecular structure and properties, in order to uncover their potential applications, remains a challenging endeavor. Therefore, employing multi-molecule assembly techniques to modulate the structure and performance of energetic materials holds immense significance. This approach enables the creation of a new generation of energetic materials, fueling research and development efforts in this field. In this study, a series of coordination compounds are synthesized by utilizing tetranitroethide (TNE) as an anion, which possesses a high nitrogen and oxygen content. The synthesis involves the synergistic modification between metal ions and small molecule ligands. Characterization of the obtained compounds is carried out using various techniques, including single crystal X-ray diffraction, IR spectroscopy, elemental analysis, and simultaneous TG–DSC analysis. Additionally, the energy of formation for these compounds is calculated using bomb calorimetry, based on the heat of combustion. The detonation performances of the compounds are determined through calculations using the EXPLO 5 software, and their sensitivities to external stimuli are evaluated. [ABSTRACT FROM AUTHOR]

With the ongoing progress in modern weaponry, the utilization of 2,4,6-trinitrotoluene (TNT) as a carrier for melt-cast explosives is no longer sufficient to meet these requirements. This review provides a comprehensive overview of melt-cast explosive carriers developed by researchers in the past decade, which demonstrate exceptional overall performance. This review offers a comprehensive summary of the physicochemical properties, detonation performance, safety parameters, and synthetic routes of the carriers mentioned above. By summarizing the structures of these carriers, they can be categorized into four major groups: fluorinated compounds, oxazole compounds, fragment combination compounds, and stereoisomers. The advantages and disadvantages of the four main categories of compounds were analyzed and discussed, with the aim of providing a reference for the development of new melt-cast explosive carriers. [ABSTRACT FROM AUTHOR]

Based on the ideas of coordination and design chemistry, we propose a new strategy to balance the energy and sensitivity conflict by synthesizing dual anion structures in the realm of energetic complex compounds. Therefore, a novel solvent-free complex, [Ni(4-PDCA)2(NO3)2](ClO4)2 (ECCs-1), which has a six-coordinated octahedral structure and contains dual anions, was synthesized. The structure was identified by IR, EA and single-crystal XRD. To the best of our knowledge, it is the first reported dual anion structure that exhibits excellent insensitivity with acceptable thermal stability and detonation performance. [ABSTRACT FROM AUTHOR]

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Background: Hypothalamus hamartomas (HHs) are rare, congenital, tumor-like, and nonprogressive malformations resulting in drug-resistant epilepsy, mainly affecting children. Gelastic seizures (GS) are an early hallmark of epilepsy with HH. The aim of this study was to explore the disease progression and the underlying physiopathological mechanisms of pathological laughter in HH. Methods: We obtained clinical information and metabolic images of 56 HH patients and utilized ictal semiology evaluation to stratify the specimens into GS-only, GS-plus, and no-GS subgroups and then applied contrasted trajectories inference (cTI) to calculate the pseudotime value and evaluate GS progression. Ordinal logistic regression was performed to identify neuroimaging-clinical predictors of GS, and then voxelwise lesion network-symptom mapping (LNSM) was applied to explore GS-associated brain regions. Results: cTI inferred the specific metabolism trajectories of GS progression and revealed increased complexity from GS to other seizure types. This was further validated via actual disease duration (Pearson R = 0.532, P = 0.028). Male sex [odds ratio (OR) = 2.611, P = 0.013], low age at seizure onset (OR = 0.361, P = 0.005), high normalized HH metabolism (OR = − 1.971, P = 0.037) and severe seizure burden (OR = − 0.006, P = 0.032) were significant neuroimaging clinical predictors. LNSM revealed that the dysfunctional cortico-subcortico-cerebellar network of GS and the somatosensory cortex (S1) represented a negative correlation. Conclusions: This study sheds light on the clinical characteristics and progression of GS in children with HH. We identified distinct subtypes of GS and demonstrated the involvement of specific brain regions at the cortical–subcortical–cerebellar level. These valuable results contribute to our understanding of the neural correlates of GS. [ABSTRACT FROM AUTHOR]

Comprehensive evaluation of reservoirs is an important link in gas reservoir exploration and development. The evaluation of tight carbonate reservoirs often focuses on the characteristics of porosity and permeability, ignoring the important factor of fractures, also the quantitative evaluation of reservoirs is relatively few. It is difficult to identify fractures and evaluate the reservoir factors qualitatively and quantitatively. Herein, the sedimentary microfacies and microporosity of the tight carbonate reservoir of the Ma55 submember in the eastern Sulige area are comprehensively studied by casting thin section, rock physical property, and capillary pressure test data. The backpropagation (BP) neural network algorithm is used to identify and predict fractures. Finally, through the analytic hierarchy process, the above reservoir influencing factors are modeled and quantitatively analyzed for reservoir evaluation. The results show that the highest probability of fracture development in the central and northwest areas of the study area can reach 0.92. The accuracy of the BP neural network model in identifying cracks can reach 80%, which is reliable and effective compared with the conventional logging identification method. Reservoirs can be classified into four types according to their quality. The synthetic weights of porosity, permeability and fracture development probability are 0.2, 0.2 and 0.216 respectively, which are the three most important evaluation parameters. This study improves the accuracy of fracture identification and prediction of tight reservoirs in comprehensive reservoir evaluation, which provides guidance and scheme for more detailed exploration and development of tight carbonate reservoirs. [ABSTRACT FROM AUTHOR]

The safety and thermal stability of energetic materials are of increasing concern, while simpler synthesis routes are also a major goal for researchers in the field of energetic materials. To meet these needs, a novel heat-resistant energetic compound 3-(3,5-dinitrophenyl)-5-amino-1,2,4-oxadiazole (3) with low mechanical sensitivity on the basis of combining dinitrobenzene and aminooxadiazole was synthesized through a simple method in this work. The structures of energetic intermediate 3-(3,5-dinitrophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole (2) and 3 were characterized by NMR (1H and 13C), infrared spectroscopy and X-ray crystallography. The results showed that both 2 and 3 are mechanically insensitive (IS > 60 J, FS > 360 N) and heat-resistant (Td = 270 and 320 °C, respectively) with detonation properties (D = 6135 and 6396 m s−1, P = 15.7 and 15.2 GPa) and both have relatively low melting points (Tm = 127 and 164 °C, respectively). [ABSTRACT FROM AUTHOR]

Nutrition-gut cross-talk holds a vital position in sustaining intestinal function, and micronutrient metabolism has emerged as the foremost metabolic pathway to preserve gut homeostasis. Among micronutrients, B vitamins have evolved prior to DNA/RNA and are known for their vital roles for major evolutionary transitions in extant organisms. Despite their universal requirement and critical role, not all the three domains of life are endowed with a natural ability for de novo B vitamins synthesis. The human gut microbiome constitutes prototrophs and auxotroph which are entirely dependent on dietary intake and gut microbial production of B vitamins. The syntrophic metabolism involving cross-feeding of B vitamins and community-wide exchange between commensal bacteria elicit important changes in the diversity and composition of the human gut microbiome. Hereto, we discuss the B-vitamins sharing among prototrophic and auxotrophic gut bacteria, their absorption in small intestine and transport in distal gut, functional role in relation to the gut homeostasis and symptoms linked to their deficiency. We also briefly explore their potential involvement as psychobiotics in brain energetic metabolism (kynurenines/tryptophan pathway) for neurological functions and highlight their deficiency related malfunctioning. [ABSTRACT FROM AUTHOR]

To synthesize lead-free primary explosives with good thermal stability, pyridine-2-carbohydrazide (2-PDCA) was used to prepare a novel energetic copper perchlorate complex (ECCs-1), which was structurally characterized by infrared spectroscopy, NMR, and elemental analysis. Its thermal decomposition properties were investigated by thermogravimetry and a synchrotron thermal analyzer, and the sensitivity was tested by the BAM method. The laser ignition experiment and the lead plate tests show that the ECCs-1 complex has a good detonation performance with a high thermal decomposition temperature (215.6 °C) and moderate sensitivity (impact sensitivity = 3 J and friction sensitivity = 5 N). [ABSTRACT FROM AUTHOR]

SUMMARY: Rhus chinensis Mill., an economically valuable Anacardiaceae species, is parasitized by the galling aphid Schlechtendalia chinensis, resulting in the formation of the Chinese gallnut (CG). Here, we report a chromosomal‐level genome assembly of R. chinensis, with a total size of 389.40 Mb and scaffold N50 of 23.02 Mb. Comparative genomic and transcriptome analysis revealed that the enhanced structure of CG and nutritional metabolism contribute to improving the adaptability of R. chinensis to S. chinensis by supporting CG and galling aphid growth. CG was observed to be abundant in hydrolysable tannins (HT), particularly gallotannin and its isomers. Tandem repeat clusters of dehydroquinate dehydratase/shikimate dehydrogenase (DQD/SDH) and serine carboxypeptidase‐like (SCPL) and their homologs involved in HT production were determined as specific to HT‐rich species. The functional differentiation of DQD/SDH tandem duplicate genes and the significant contraction in the phenylalanine ammonia‐lyase (PAL) gene family contributed to the accumulation of gallic acid and HT while minimizing the production of shikimic acid, flavonoids, and condensed tannins in CG. Furthermore, we identified one UDP glucosyltransferase (UGT84A), three carboxylesterase (CXE), and six SCPL genes from conserved tandem repeat clusters that are involved in gallotannin biosynthesis and hydrolysis in CG. We then constructed a regulatory network of these genes based on co‐expression and transcription factor motif analysis. Our findings provide a genomic resource for the exploration of the underlying mechanisms of plant‐galling insect interaction and highlight the importance of the functional divergence of tandem duplicate genes in the accumulation of secondary metabolites. [ABSTRACT FROM AUTHOR]

Deep brain stimulation (DBS) has been widely used for Parkinson's disease, essential tremor, dystonia, drug - resistant epilepsy and other diseases. The operation procedure of this surgical method is complicated, and it also has certain complications in clinical application, including surgical complications such as intracranial hemorrhage and infection, hardware complications such as lead fracture and displacement, and stimulation complications such as paresthesia and muscle spasm, in which lead fracture and erosion and infection of the skin behind the ear are common and troublesome complications. In clinical practice, we found that lead fracture and erosion and infection of the skin were mainly located behind the ear. Since 2012, Beijing Tiantan Hospital, Capital Medical University had applied the retroauricular bone grinding groove technology in DBS, which significantly reduced the incidence of lead fracture and erosion and infection of the skin. Therefore, the retroauricular bone grinding groove technology can effectively solve the above problems. This paper mainly introduces the retroauricular bone grinding groove technology and the clinical application attention matters, providing references for colleagues. [ABSTRACT FROM AUTHOR]

C19H18N2O, orthorhombic, Pna21 (no. 33), a = 21.838(2) Å, b = 13.9663(11) Å, c = 4.9806(4) Å, V = 1519.1(2) Å3, Z = 4, Rgt(F) = 0.0702, wRref(F2) = 0.1948, T = 293 K. [ABSTRACT FROM AUTHOR]

This research utilized a recently developed co-melting crystallization method to synthesize four distinct energetic coordination compounds (ECCs). The method involves the direct heating of organic ligands with inorganic salts, leading to the formation of the desired ECCs upon cooling and subsequent crystallization. This approach effectively bypasses various challenges associated with the conventional solvent-based ECC preparation process. In this study, the organic ligands employed were pyrazole and 4-chloropyrazole, while the inorganic salts included copper nitrate and copper perchlorate. A rigorous pre-experiment was meticulously designed to validate the feasibility of this method, followed by control experiments to underscore its advantages. Subsequently, comprehensive characterizations were conducted on the four ECCs, with a primary emphasis on their crystal structures and energetic properties. Notably, ECCs-3 and ECCs-4, among the synthesized ECCs, exhibit significant potential for applications in pyrotechnic materials and ignition agents. This work extends the practical applicability of the co-melting crystallization method we have developed, providing further substantiation of its advantages and potential. [ABSTRACT FROM AUTHOR]

Efficiently constructing structures with high thermal stability is a key objective in the development of energetic compounds. However, the existing synthesis processes for heat‐resistant energetic materials are frequently hampered by their complexity and low yields. This study presents a significant breakthrough in addressing these challenges. It successfully synthesizes 4‐amino‐5‐(3‐amino‐1H‐pyrazole‐4‐yl)‐2,4‐dihydro‐3H‐1,2,4‐triazol‐3‐one (APTO) using a streamlined two‐step process, achieving an impressive high yield of 87.5 %. The structure was determined through X‐ray single crystal diffraction analysis, revealing a nearly planar intramolecular structure. Hirshfeld surface analysis, weak interaction analysis, and aromaticity analysis were conducted, illustrating a substantial presence of hydrogen bonds and π ‐ π stacking interactions within and between molecules. These interactions contribute significantly to exceptional thermal stability of ATPO. Furthermore, the thermal stability of ATPO was confirmed through DSC analysis, exhibiting a decomposition temperature as high as 365.2°C. This temperature surpasses that of the heat‐resistant explosive HNS (325°C), further validating its excellent thermal stability. The construction of this conjugated structure offers valuable guidance for the future structural design of heat‐resistant energetic materials. It opens up possibilities for the development of novel compounds with improved thermal stability based on similar conjugated architectures. [ABSTRACT FROM AUTHOR]

To obtain high-performance energetic materials, 3,5-diamino-1,2,4-triazole was utilized as a raw material to synthesize 3-hydrazinyl-5-amino-1H-1,2,4-triazolium dihydrochloride(compound 1)through diazotization and reduction reactions. A novel energetic ionic salt, 3-hydrazinyl-5-amino-1H-1,2,4-triazolium dinitrate(compound 2), was prepared by the metathesis reaction of compound 1 with silver nitrate. The structure of compound 2 was characterized using various techniques including FTIR, NMR, mass spectrometry, elemental analysis, and single-crystal X-ray diffraction. Thermal decomposition of compound 2 was studied by DSC and TG. The contribution of hydrogen bonding to the intermolecular interactions in the crystal of compound 2 was calculated using Crystal Explorer software. The detonation and safety properties of compound 2 were also investigated. The results show that compound 2 belongs to monoclinic crystal system with space group P2/n and cell parameters a=6.9296Å,b=9.9082Å,c=13.3696Å,α=90.00°,β=103.51(2)°,γ=90.00°,V=892.54(11)Å3. It exhibits excellent thermal stability with a thermal decomposition temperature of 189.7°C. Furthermore, compound 2 demonstrates outstanding detonation performance and low sensitivity, with detonation velocity and pressure values of 8673m/s and 32.5GPa, respectively. The friction sensitivity and impact sensitivity are 112N and 25J, respectively. [ABSTRACT FROM AUTHOR]

Lycium genus (Goji berry) is recognized as a good source of homology of medicine and food, with various nutrients and phytochemicals. Lately, numerous studies have focused on the chemical constituents and biological functions of the L. barbarum L., covering phytochemical and pharmacological aspects. We aim to provide exclusive data on the nutrients of L. barbarum L. fruits and phytochemicals, including their structural characterization, the evolution of extraction, and purification processes of different phytochemicals of L. barbarum L. fruit while placing greater emphasis on their wide-ranging health effects. This review also profitably offers innovative approaches for the food industry and industrial applications of L. barbarum L. and addresses some current situations and problems in the development of L. barbarum L. in deep processing products, which can provide clues for the sustainable development of L. barbarum L. industry. [ABSTRACT FROM AUTHOR]

In the field of energetic materials, high sensitivity has always been one of the obstacles restricting the practical application of energetic materials. In order to meet the practical application requirements, there are various methods to lower sensitivity, among which doping multilayer graphene is one of the important methods to reduce the friction sensitivity of energetic compounds in recent years. A multilayer graphene structure has the obvious characteristics of a weak interaction between layers and a strong interaction between atoms in layers. This special structure makes it slip between layers when it encounters friction, thus reducing the heat conduction efficiency and hindering the generation of hot spots, and finally shows the effect of lowering friction sensitivity on a macro level. Inspired by this mechanism, we designed and synthesized a ligand furan-2,5-dicarbohydrazide (FDCA) and its Ag(I)-based metal complex ([Ag(FDCA)ClO4]n, ECP-1) with a graphene-like structure. The structure of the product was confirmed using single-crystal X-ray diffraction, infrared spectroscopy and elemental analysis. ECP-1 exhibits excellent explosion performance and initiation ability, but also shows a low friction sensitivity (FS = 84 N), which is in sharp contrast with a sensitive impact sensitivity (IS = 4 J). The simple preparation method and unique structure enrich research on lowering the mechanical sensitivity of primary explosives. [ABSTRACT FROM AUTHOR]

Combining the advantages of energetic heterocycles to achieve high-energy insensitive explosives is a significant challenge. Herein, based on high-energy tetrazole rings and highly stable 1,3,4-oxadiazole rings, a series of novel nitrogen rich energetic compounds 5–9 were successfully constructed. The related compounds were fully characterized by EA, FT-IR, NMR, DSC, and MS, and compounds 6–9 were further confirmed by X-ray single crystal diffraction. Among them, the energetic ion salts 6–8 show high thermal stability (Tdec > 250 °C) and low mechanical sensitivity (IS > 40 J, FS > 360 N), as well as good energy properties (7552–8050 m s−1, 19.4–23.3 GPa). In particular, the azo compound 9 exhibits competent comprehensive performances (Tdec = 226.2 °C, D = 8502 m s−1, P = 28.9 GPa, IS = 32 J, FS = 320 N). These results suggest that the strategy of integrating tetrazole and 1,3,4-oxadiazole and employing an azo structure as a bridging unit are effective approaches to construct high-energy insensitive materials. [ABSTRACT FROM AUTHOR]

Identifying the factors that cause reproductive isolation and their relative importance in species divergence is crucial to our understanding of speciation processes. In most species, natural selection is commonly considered to play a large role in driving speciation. Based on whole genome re‐sequencing data from 27 Populus alba and 28 Populus adenopoda individuals, we explored the factors related to reproductive isolation of these two closely related species. The results showed that the two species diverged ~5–10 million years ago (Ma), when the Qinghai–Tibet Plateau reached a certain height and the inland climate of the Asian continent became arid. In highly differentiated genomic regions, the relative divergence (FST) and absolute divergence (dxy) were significantly higher than the genomic background, θπ and shared polymorphisms decreased whereas fixed differences increased, which indicated that natural selection played a key role in the reproductive isolation of the two species. In addition, we found several genes that were related to reproduction that may be involved in explaining the reproductive isolation. Using phylogenetic trees resolved from haplotype data of Populus tomentosa and P. adenopoda, the maternal origin of P. tomentosa from P. adenopoda was likely to be located in Hubei and Chongqing Provinces. [ABSTRACT FROM AUTHOR]

C22H14Cl2F4N2Pt, monoclinic, P21/n (no. 14), a = 16.858(9) Å, b = 14.876(8) Å, c = 17.125(9) Å, β = 98.552(6)°, V = 4247(4) Å3, Z = 8, Rgt(F) = 0.0337, wRref(F2) = 0.0778, T = 296 K. [ABSTRACT FROM AUTHOR]

The design of heat-resistant energetic compounds generally employs symmetry, planarity, and multi-hydrogen bonds to obtain compounds with high density, good thermal stability, and low sensitivity. In this paper, a heat-resistant hydrazine-bridged compound, 6,6′-(hydrazine-1,2-diyl)bis(5-nitropyrimidine-2,4-diamine) (PHP), was designed and synthesized with the strategy of multi-fused conjugated structure constructed by hydrogen bonds. The compound featured high symmetry, high planarity, and strong conjugation with good thermal stability (364 °C). This strategy provides a basis for the design of heat-resistant energetic compounds. [ABSTRACT FROM AUTHOR]

Objective: To assess seizure semiology and disease evolution in a large number of hypothalamic hamartoma (HH) patients. Methods: Seizure semiology and associated medical records for 78 patients with HH‐related epilepsy were retrospectively reviewed. Potential predictors of seizure types were assessed through univariate and binary logistic regression analyses. Results: 57 (73.1%) patients presented with gelastic seizures at the onset of epilepsy, of whole 39 (68.4%) experienced additional seizure types with a mean latency interval of 4.59 years. Automatism, version, and sGTCs were increasingly common with disease evolution. The intraventricular size of HH was significantly negatively correlated with the disease evolution interval (r = −0.445, p = 0.009). A significantly higher rate of patients with automatism in the DF‐II group relative to the DF‐III group was found in both χ2 (X = 6.07, p = 0.014) and logistic regression analyses (B = 3.196, p = 0.020). Interpretation: Gelastic seizures are the most common initial seizure type in HH patients, but variable semiologies occur with disease evolution. The intraventricular HH lesion size is an important determinant of epilepsy evolution. DF‐II HH lesions contribute to a higher chance of automatism evolution. The present study furthers our understanding of the dynamic organization of the seizure network affected by HH. [ABSTRACT FROM AUTHOR]

Background: Subthalamic nucleus (STN) deep brain stimulation (DBS) is an effective treatment for Parkinson's disease (PD), that can improve patients' motor and non‐motor symptoms. However, there are differences in the improvement of patients' emotional symptoms and cognitive function. Objective: To investigate the impact of active contact location and the volume of tissue activated (VTA) on patients' emotional symptoms and cognitive function in STN‐DBS in PD. Methods: A total of 185 PD patients were included in this study. We evaluated them using the Movement Disorder Society‐Unified Parkinson's Disease Rating Scale, Hamilton Anxiety Scale (HAM‐A), Hamilton Depression Scale (HAM‐D), Montreal Cognitive Assessment (MoCA), and Mini‐Mental State Examination (MMSE) scales at the preoperative, 1‐ and 12‐month postoperative time points. Leads were positioned in standard space using the Lead‐DBS toolbox, and VTA was calculated for analysis. Results: When the lead active contact was closer to the ventral side of the STN, the patients' HAM‐A improvement rate was higher, and when the active contact was closer to the anterior and dorsal sides of the STN, the patients' MoCA improvement rate was higher. Stimulation of the sensorimotor zone was more favorable to the improvement of HAM‐A and HAM‐D in patients. And, the stimulation of the associative zone was more favorable to the improvement of MoCA in patients. Conclusion: Our results provide evidence that the 12‐month outcomes of cognitive function and emotional symptoms in PD patients with STN‐DBS were closely related to the specific location of the active contacts in the STN and influenced by the VTA. [ABSTRACT FROM AUTHOR]

Focal cortical dysplasia (FCD) type II is a highly epileptogenic developmental malformation and a common cause of surgically treated drug-resistant epilepsy. While clinical observations suggest frequent occurrence in the frontal lobe, mechanisms for such propensity remain unexplored. Here, we hypothesized that cortex-wide spatial associations of FCD distribution with cortical cytoarchitecture, gene expression and organizational axes may offer complementary insights into processes that predispose given cortical regions to harbour FCD. We mapped the cortex-wide MRI distribution of FCDs in 337 patients collected from 13 sites worldwide. We then determined its associations with (i) cytoarchitectural features using histological atlases by Von Economo and Koskinas and BigBrain; (ii) whole-brain gene expression and spatiotemporal dynamics from prenatal to adulthood stages using the Allen Human Brain Atlas and PsychENCODE BrainSpan; and (iii) macroscale developmental axes of cortical organization. FCD lesions were preferentially located in the prefrontal and fronto-limbic cortices typified by low neuron density, large soma and thick grey matter. Transcriptomic associations with FCD distribution uncovered a prenatal component related to neuroglial proliferation and differentiation, likely accounting for the dysplastic makeup, and a postnatal component related to synaptogenesis and circuit organization, possibly contributing to circuit-level hyperexcitability. FCD distribution showed a strong association with the anterior region of the antero-posterior axis derived from heritability analysis of interregional structural covariance of cortical thickness, but not with structural and functional hierarchical axes. Reliability of all results was confirmed through resampling techniques. Multimodal associations with cytoarchitecture, gene expression and axes of cortical organization indicate that prenatal neurogenesis and postnatal synaptogenesis may be key points of developmental vulnerability of the frontal lobe to FCD. Concordant with a causal role of atypical neuroglial proliferation and growth, our results indicate that FCD-vulnerable cortices display properties indicative of earlier termination of neurogenesis and initiation of cell growth. They also suggest a potential contribution of aberrant postnatal synaptogenesis and circuit development to FCD epileptogenicity. [ABSTRACT FROM AUTHOR]

Objective: SNRPA1, a subunit of spliceosome complex, has been implicated in diverse cancers, while its biological effect in LUAD remains elusive. Therefore, we sought to decipher the relationship between SNRPA1 expression and the prognosis of patients with LUAD and reveal the underlying molecular mechanism. Materials and methods: Based on the clinical data from TCGA databases, the multivariate Cox model was constructed to screen the prognostic value of SNRPA1. qRT‐PCR and immunohistochemical staining were used to examine SNRPA1 mRNA and protein expression in LUAD. The effect of SNRPA1 on LUAD cell proliferation, migration, and epithelial mesenchymal transformation were examined using colony formation assays, wound healing, and western blot assays, respectively. Finally, the influence of SNRPA1 on LUAD immune microenvironment were validated from the Tumor Immune Estimation Resource database. Results: SNRPA1 was significantly upregulated in both LUAD tissues and cell lines, and highly expressed SNRPA1 contributed to poor prognosis of LUAD patients. In vitro, SNRPA1 knockdown inhibited the proliferation and migration, as well as delayed the EMT differentiation of LUAD cells. Lastly, SNRPA1 was found to be positively associated with immune infiltration and some immune‐check‐point markers. Conclusions: Our findings indicate that SNRPA1 may be a new biomarker for prognostic prediction and a potential therapeutic target in the treatment of LUAD. [ABSTRACT FROM AUTHOR]

Context and results: 2,4,6-triazide-1,3,5-triazine (TAT) has received widespread attention for its great potential to synthesize or convert to nitrogen-rich high energy density materials (HEDMs). The TAT structure alteration in the compression process up to 30 GPa has characteristics as follows: (a) [N3] groups straighten; (b) [N3] groups gather toward the six-membered C-N heterocycles. At about 5 GPa, Raman peak split at 700 cm-1 was observed both in calculation and in-situ Raman experiment, which is caused by pressure-induced intramolecular stress. Besides, the broad band of the amorphous two-dimensional C=N network (centered at 1630 cm-1) occurred at about 12 GPa. Meantime, the study on electronic features suggests the pressure-induced deformation in TAT molecular structure cause the discontinuous change of band gap at about 4.5 GPa and 8.0 GPa, respectively. Computational and theoretical techniques: The static compression process of TAT was explored in the range of 0-30 GPa by using dispersion corrected density functional theory (DFT-D) calculations combined with in-situ Raman experiment. The GGA/PBE+G06 method that has less errors than other calculation methods was used to predict the geometry structure, vibrational properties and electronic structure of TAT under pressure. [ABSTRACT FROM AUTHOR]

Impaired activation and regulation of the extinction of inflammatory cells and molecules in injured neuronal tissues are key factors in the development of epilepsy. SerpinA3N is mainly associated with the acute phase response and inflammatory response. In our current study, transcriptomics analysis, proteomics analysis, and Western blotting showed that the expression level of Serpin clade A member 3N (SerpinA3N) is significantly increased in the hippocampus of mice with kainic acid (KA)-induced temporal lobe epilepsy, and this molecule is mainly expressed in astrocytes. Notably, in vivo studies using gain- and loss-of-function approaches revealed that SerpinA3N in astrocytes promoted the release of proinflammatory factors and aggravated seizures. Mechanistically, RNA sequencing and Western blotting showed that SerpinA3N promoted KA-induced neuroinflammation by activating the NF-κB signaling pathway. In addition, co-immunoprecipitation revealed that SerpinA3N interacts with ryanodine receptor type 2 (RYR2) and promotes RYR2 phosphorylation. Overall, our study reveals a novel SerpinA3N-mediated mechanism in seizure-induced neuroinflammation and provides a new target for developing neuroinflammation-based strategies to reduce seizure-induced brain injury. [ABSTRACT FROM AUTHOR]

Background: Progressive pseudorheumatoid dysplasia (PPRD) is a rare genetic disease with autosomal recessive inheritance. There was a lack of genotype–phenotype correlation data from the Chinese population. This study aimed to identify the genotype and phenotype characteristics of Chinese PPRD patients and to conduct a genotype–phenotype analysis of Chinese PPRD patients. Methods: Genetic analysis was performed for suspected PPRD patients from Peking Union Medical College Hospital. Medical records were collected from the electronic medical record system and patient-held portable health records. Published Chinese PPRD cases were gathered from both international and Chinese local databases. We collected demographic information, genetic variants, clinical manifestations, and imaging characteristics for further analysis. Results: We included 105 Chinese PPRD patients in the current study. Thirty-three variants, including nine novels and five hotspot variants, were identified, with 26/33 (79%) variants exclusively seen in the Chinese population. Chinese PPRD patients share a phenotype similar to that in international reports. Joint involvement may progress with age (R2 = 0.2541). Long bone shortening and severe deformities occur in three patients with biallelic null variants, of which at least one variant is located in exon 2. Among hotspot variants, c.624dupA (p.C209Mfs*21) were associated with later onset and more involved joints. Elbow joints were more likely to be affected in patients carrying c.624dupA (p.C209Mfs*21) and c.866dupA (p.S209Efs*13). Shoulder joints are more likely to be involved in patients with biallelic null variants (P = 0.027). Conclusions: Chinese PPRD patients share a unique mutation spectrum. Among the five hotspot variants, c.624dupA is associated with later onset of disease, more extensive joint involvement, and a tendency to affect elbow joints. Biallelic null variants with at least one variant in exon 2 could be a likely cause of long bone shortening and severe deformities. [ABSTRACT FROM AUTHOR]

Multiple dangerous sites often coexist in complex structures like aircraft turbine rotors, and its failure-correlated reliability evaluation usually occurs the thorny problems of high-efficacy computing and correlation quantification. In this paper, a novel unified reliability evaluation framework is proposed: to meet the high-efficacy computing demand of multi-site reliability evaluation, a new optimized Kriging surrogate-based improved importance sampling (OKS-IIS) method is first presented; furthermore, to quantify the failure correlation relationships among multiple dangerous sites, a novel failure correlation analysis (FCA) strategy is further developed. A typical reliability evaluation of high-pressure turbine rotor with multiple dangerous sites is selected, to validate the effectiveness of the proposed framework. Methods comparison show that the OKS-IIS method can improve computing efficiency while keeping computing accuracy, and the FCA strategy can accurately quantify the multi-site failure correlation. The current efforts would shed a light on the complex reliability evaluation problems involving failure correlation. [ABSTRACT FROM AUTHOR]

In this paper, we investigate the data-driven forward and inverse problems of both the focusing and defocusing nonlinear Schrödinger equations (NLSEs) with generalized parity-time ( PT )-Scarf-II potential via the physics-informed neural networks (PINNs) deep learning. The NLSE with four different initial conditions and periodic boundary condition are analyzed via the PINNs approach. And the predicted (data-driven) multi-hump solitons have been compared to the solutions, which can be obtained from the analytical or the high-accuracy numerical methods. Moreover, we explore the influences of several key factors (e.g., the depth of the neural networks, activation functions) on the performance of the PINNs algorithm. Finally, the data-driven inverse problems of the NLSE are also investigated such that the coefficients of the generalized PT -Scarf-II potentials, the nonlinear and dispersion terms can be found. The results obtained in this paper can be used to further explore the NLSE with PT -symmetric potentials and the applications of deep learning method in the nonlinear partial differential equations. [ABSTRACT FROM AUTHOR]

Tetranitroethane (TNE), an energetic compound with high-nitrogen (N%, 26.7%) and oxygen (O%, 60.9%) content, is deprotonated by alkali and alkaline earth metal bases to form the corresponding metal salts of TNE which are characterized by FT-IR spectroscopy, elemental analysis, and single crystal X-ray diffraction. All the prepared energetic metal salts show excellent thermal stabilities, and the decomposition temperatures of EP-3, EP-4, and EP-5 are higher than 250 °C, due to the numerous coordination bonds of the complexes. Furthermore, the energy of formation of the nitrogen-rich salts were calculated utilizing heat of combustion. The detonation performances were calculated with the EXPLO5 software, and the impact and friction sensitivities were determined. EP-7 shows excellent energy performance (P = 30.0 GPa, VD = 8436 m s−1). EP-3, EP-4, EP-5, and EP-8 are more sensitive to mechanical stimulation. These alkali and alkaline earth metal salts of TNE show good monochromaticity by atomic emission spectroscopy (visible light), and may be used as potential flame colorants in pyrotechnics. [ABSTRACT FROM AUTHOR]

A comparative DFT-D study was performed to investigate the external electric field-induced crystal structures, electronic features, Hirshfeld surfaces, vibrational properties and initial decomposition mechanisms of nitrogen-rich binary CN compound 2,2′-azobis(5-azidotetrazole) (C2N16) and its precursor 2-amino-5-azidotetrazole (CH2N8). The results show that there exist phase transitions at the critical points of 0.006 a.u. and 0.008 a.u. for CH2N8 and C2N16, respectively, which are embodied in various properties of these compounds and induce their initial decomposition of the tetrazole ring opening via the breaking of N-N single bonds. The analysis of band gaps and density of states suggests the external electric field-induced enhancing ability for electron transition from the occupied orbitals to empty ones and N–N bond breaking may be the initial decomposition pathway for them. The variations in Hirshfeld surfaces indicate the spatial change and adjustment of non-bonding interactions in the two crystals. The discussions on vibrational properties indicate that IR characteristic peaks of all vibrational modes in the two crystals show a gradual red shift toward a low frequency region. The external electric field-induced initial decomposition pathways of both crystals are tetrazole ring opening via the breaking of a N–N single bond. Our findings provide insights for a comprehensive understanding of external electric field-induced phase transition and initial decomposition mechanisms of nitrogen-rich binary CN energetic compounds. [ABSTRACT FROM AUTHOR]

In order to broaden the study of energetic cations, a cation 3,5-diamino-4H-pyrazol-4-one oxime (DAPO) with good thermal stability was proposed, and its three salts were synthesized by a simple and efficient method. The structures of the three salts were verified by infrared spectroscopy, mass spectrometry, elemental analysis, and single crystal X-ray diffraction. The thermal stabilities of the three salts were verified by differential scanning calorimetry and thermos-gravimetric analysis. DAPO-based energetic salts are analysed using a variety of theoretical techniques, such as 2D fingerprint, Hirshfeld surface, and non-covalent interaction. Among them, the energy properties of perchlorate (DAPOP) and picrate (DAPOT) were determined by EXPLO5 program combined with the measured density and enthalpy of formation. These compounds have high density, acceptable detonation performance, good thermal stability, and satisfactory sensitivity. The intermolecular interactions of the four compounds were studied by Hirshfeld surface and non-covalent interactions, indicating that hydrogen bonds and π–π stacking interactions are the reasons for the extracellular properties of perchlorate (DAPOP) and picrate (DAPOT), indicating that DAPO is an optional nitrogen-rich cation for the design and synthesis of novel energetic materials with excellent properties. [ABSTRACT FROM AUTHOR]

Background: Deep brain stimulation (DBS) of the nucleus basalis of Meynert (NBM) has shown potential for the treatment of mild-to-moderate Alzheimer's disease (AD). However, there is little evidence of whether NBM-DBS can improve cognitive functioning in patients with advanced AD. In addition, the mechanisms underlying the modulation of brain networks remain unclear. This study was aimed to assess the cognitive function and the resting-state connectivity following NBM-DBS in patients with advanced AD. Methods: Eight patients with advanced AD underwent bilateral NBM-DBS and were followed up for 12 months. Clinical outcomes were assessed by neuropsychological examinations using the Mini-Mental State Examination (MMSE) and Alzheimer's Disease Assessment Scale. Resting-state functional magnetic resonance imaging and positron emission tomography data were also collected. Results: The cognitive functioning of AD patients did not change from baseline to the 12-month follow-up. Interestingly, the MMSE score indicated clinical efficacy at 1 month of follow-up. At this time point, the connectivity between the hippocampal network and frontoparietal network tended to increase in the DBS-on state compared to the DBS-off state. Additionally, the increased functional connectivity between the parahippocampal gyrus (PHG) and the parietal cortex was associated with cognitive improvement. Further dynamic functional network analysis showed that NBM-DBS increased the proportion of the PHG-related connections, which was related to improved cognitive performance. Conclusion: The results indicated that NBM-DBS improves short-term cognitive performance in patients with advanced AD, which may be related to the modulation of multi-network connectivity patterns, and the hippocampus plays an important role within these networks. Trial registration: ChiCTR, ChiCTR1900022324. Registered 5 April 2019—Prospective registration. https://www.chictr.org.cn/showproj.aspx?proj=37712 [ABSTRACT FROM AUTHOR]

Endometrial cancer (EC) is a very common female cancer which has attracted more and more attention. According to the individual patient's condition, the current treatment of EC patients is mainly based on surgery, which is supplemented by chemotherapy, radiotherapy, and endocrine intervention. However, these existing treatment strategies also have some inevitable limitations. Therefore, it is particularly important to find an active ingredient with low toxicity and a high safety profile against EC. Isorhamnetin is a flavonoid known to be present in a variety of plants, such as sea buckthorn, dry willow, and wolfberry. In recent years, the anti-tumor effects of isorhamnetin have been reported. In our study, isorhamnetin was shown to induce apoptosis in Ishikawa cells by inducing the endogenous mitochondrial apoptotic pathway and exogenous death receptor pathway, promoting the endoplasmic reticulum stress-related pathway, and activating the corresponding markers of UPR response. In addition, isorhamnetin affected the expression of MMP2 and MMP9-related proteins in vitro and in vivo and eventually repressed metastasis. Therefore, isorhamnetin can be used as a promising medicinal material for the treatment of EC. [ABSTRACT FROM AUTHOR]

Traditionally, walnuts have occupied an imperative position in the functional food market with consistently recognized nutritious and functional properties. In the past years, the lipid profile of walnuts has brought much scientific attention via linking a cascade of biological attributes and health-promoting effects. Over time, researchers have focused on diversified composition (polyphenols and vitamins) of different parts of walnut (flower, pellicle, and kernel) and emphasized their physiological significance. Consequently, a plethora of reports has emerged on the potential role of walnut consumption against a series of diseases including cancer, gut dysbiosis, cardiovascular, and neurodegenerative diseases. Therefore, we accumulated the updated data on composition and classification, extraction methods, and utilization of different parts of walnuts as well as associated beneficial effects under in vivo and clinical studies. Altogether, this review summarized the ameliorative effects of a walnut-enriched diet in chronic diseases which can be designated to the synergistic or individual effects of walnut components mainly through anti-oxidative and anti-inflammatory role. [ABSTRACT FROM AUTHOR]

Levodopa-induced dyskinesia (LID) is a common complication of chronic dopamine replacement therapy in the treatment of Parkinson's disease (PD), and a noble cause of disability in advanced PD patients. Circular RNA (circRNA) is a novel type of non-coding RNA with a covalently closed-loop structure, which can regulate gene expression and participate in many biological processes. However, the biological roles of circRNAs in LID are not completely known. In the present study, we established typical LID rat models by unilateral lesions of the medial forebrain bundle and repeated levodopa therapy. High-throughput next-generation sequencing was used to screen circRNAs differentially expressed in the brain of LID and non-LID (NLID) rats, and key circRNAs were selected according to bioinformatics analyses. Regarding fold change ≥2 and p < 0.05 as the cutoff value, there were a total of 99 differential circRNAs, including 39 up-regulated and 60 down-regulated circRNAs between the NLID and LID groups. The expression of rno-Rsf1_0012 was significantly increased in the striatum of LID rats and competitively bound rno-mir-298-5p. The high expression of target genes PCP and TBP in LID rats also supports the conclusion that rno-Rsf1_0012 may be related to the occurrence of LID. [ABSTRACT FROM AUTHOR]

Background: The present study aimed to investigate oral cancer awareness and its related knowledge among residents in Beijing. Methods: A questionnaire survey was conducted among Beijing residents concerning their knowledge of oral cancer, and its prevention and treatment. Results: A total of 3055 questionnaires were completed, 45.8% by males and 54.2% by females. The ages of the respondents ranged from 15 to 93 years; 12.4% were smokers, 1.1% chewed betel nuts, and 82.5% brushed their teeth at least twice a day. Lung cancer was heard of by the most respondents, followed by gastric cancer and liver cancer; oral cancer was the least heard of. More than 60% of respondents were unaware of the risk factors and early signs of oral cancer. Conclusions: This survey demonstrated a general lack of public awareness and knowledge about oral cancer. Specific measures should be taken to improve public awareness of oral cancer and its prevention and treatment. [ABSTRACT FROM AUTHOR]

Energetic metal organic frameworks (EMOFs) are increasingly developed and have proven to be candidates for novel high energy density materials (HEDM). Here, two energetic metal complexes based on 3,5-diaminopyrazolone-4-oxime (DAPO) ligands were synthesized by simple steps and fully characterized by NMR and IR spectroscopy, X-ray single-crystal diffraction, and DSC-TG. The detonation performance was calculated using the Kamlet–Jacobs formula. The crystal densities of these complexes (C6H14N12O10Co (2) and C6H14N12O10Cd (3) are as high as 1.945 g cm−3 at 163 K and 2.072 g cm−3 at 298 K, respectively. Thermal analysis by the DSC-TG test shows that they all have good thermal stability with the highest decomposition temperatures of 287 °C and 344 °C, respectively. These two as-synthesized complexes exhibit excellent detonation performance; 2 (D = 8682 m s−1, P = 34.98 GPa) and 3 (D = 8383 m s−1, P = 33.78 GPa) have good detonation velocity and detonation pressure that are superior to those of TNT, which is widely used today. Thus, they show great promise for potential applications as thermally stable energetic materials. [ABSTRACT FROM AUTHOR]

The design, synthesis, physical properties, and calculated detonation performances of two skeleton isomeric energetic compounds containing tetrazole were introduced. By changing the chemical modification sites of the original fused-pyrimidine skeleton, a new pyrazolo[5,1-c][1,2,4]triazine framework was designed to compensate for the inability to functionalize CH sites in the original backbone. The potential energetic molecule 4-amino-8-nitro-3-(1H-tetrazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-7(6H)-one (PTT) was synthesized and characterized, which exhibits a moderate thermal decomposition temperature of 278.8 °C, good detonation velocity of 8620 m s−1, and desirable mechanical sensitivity. A comprehensive comparison between original 2-nitro-6-(1H-tetrazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (NPT) and PTT suggests that positional isomerism modulation holds broad prospects in the design of energetic materials. [ABSTRACT FROM AUTHOR]

Two bimetallic complexes of 4-hydroxy-3,5-dinitropyrazole, [K2Mn(DNPO)2(H2O)4]n·2H2O (BMEP-1) and [K2Zn(DNPO)2(H2O)6]n (BMEP-2), were synthesized and characterized by IR spectroscopy and elemental analysis. The crystal structures of BMEP-1 and BMEP-2 were determined by single-crystal X-ray diffraction. It is noteworthy that these complexes presented different metal–organic frameworks. The thermal behaviors of BMEP-1 and BMEP-2 were investigated by differential scanning calorimetry and thermogravimetric analysis measurements. These bimetallic complexes exhibited high thermal stability (348.0 °C and 331.0 °C) due to their large coordination bonds and three-dimensional interconnected structure. The catalytic performances of BMEP-1 and BMEP-2 on the thermal decomposition of ammonium perchlorate were investigated by TGA-DSC, TGA-FTIR, and non-isothermal kinetic analyses. The results showed that BMEP-1 and BMEP-2 exhibited excellent catalytic performance in the thermal decomposition of ammonium perchlorate. Notably, there was only a single exothermic peak at 302.6 °C and 318.6 °C, and the activation energy values of ammonium perchlorate decreased to 123.88 kJ mol−1 and 128.43 kJ mol−1, respectively. TGA-FTIR results showed that BMEP-1 and BMEP-2, as effective components of catalysis, will promote the production of H2O, N2O, NO2, and HCl in advance, during the thermal decomposition of ammonium perchlorate. BMEP-1 and BMEP-2 are expected to be two candidate additives for the catalytic decomposition of ammonium perchlorate in composite solid propellants. [ABSTRACT FROM AUTHOR]

The sources, transportation and depositional processes of lacustrine mudrock are still poorly understood. Existing studies have demonstrated the controlling effect of astronomical forcing on lacustrine mudrock deposition, but its depositional mechanism and evolution are still not systematically investigated. Most research related to astronomical forcing exclusively highlights the sedimentation of carbonate rocks in deep-water lacustrine setting, with insufficient attention paid to the thick organic-rich, deep-lake mudrock. With the increasing interest in exploration and development of shale oil and gas accumulations, it is urgent to deeply understand depositional rules of lacustrine mudrock. This study reviews sediment sources, depositional mechanism and evolution process of mudrock through expounding the correlations between the periodic changes of astronomical forces, the parameters of Earth orbital and mudrock compositions. By investigating the existing literature and using some actual data of Jiyang Depression, Bohai Bay Basin in East China, this study expounds on the influence of astronomical cycles on the deposition of lacustrine mudrock. Moreover, efforts are made to analyze the effects of various orbital parameters (e.g., precession, obliquity, and eccentricity with the periods ranging from tens of thousands years to million years) on the deposition of mudrock from small-scale (decimeters to meters) to large-scale (10s to 100s meters). Further, it is feasible to apply the high-precision isochronous stratigraphic correlation into clarifying the distribution of favorable shale oil and gas reservoirs. To conclude, this study enunciates the sedimentation of mudrock from a new perspective (astronomical forcing) and provides a direction for the research on sedimentation of fine-grained sedimentary rocks. [ABSTRACT FROM AUTHOR]