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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]

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]

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]

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]

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]

Objective: Focal cortical dysplasia (FCD) represents an essential cause of drug‐resistant epilepsy with surgery as an effective treatment option. This study aimed to identify the important predictors of favorable surgical outcomes and the impact of the interictal scalp electroencephalogram (EEG) patterns in predicting postsurgical seizure outcomes. Methods: We retrospectively evaluated 210 consecutive patients between 2015 and 2019. They were diagnosed with FCD by pathology, underwent resection, and had at least one year of postsurgical follow‐up. Predictors of seizure freedom were analyzed. Results: Based on the information at the latest follow‐up, seizure outcome was classified as Engel Class I (seizure‐free) in 81.4% and Engel Class II‐IV (non‐seizure‐free) in 18.6% of patients. There were 43, 105, and 62 cases of FCD type I, type II, and type III, respectively. The interictal EEG showed a repetitive discharge pattern (REDP) in 87 (41.4%) patients, polyspike discharge pattern (PDP) in 41 (19.5%), and the coexistence of REDP and PDP in the same location in 32 (15.2%) patients. The analyzed patterns in order of frequency were repetitive discharges lasting 5 seconds or more (32.4%); polyspikes (16.7%); RED type 1 (11.4%); continuous epileptiform discharges occupying >80% of the recording (11.4%); RED type 2 (6.2%); brushes (3.3%); focal, fast, continuous spikes (2.4%); focal fast rhythmic epileptiform discharges (1.43%); and frequent rhythmic bursting epileptiform activity (1.4%). The coexistence of REDP and PDP in the same location on scalp EEG and complete resection of the assumed epileptogenic zone (EZ) was independently associated with favorable postsurgical prognosis. Significance: Resective epilepsy surgery for intractable epilepsy caused by FCD has favorable outcomes. Interictal scalp EEG patterns were revealed to be predictive of excellent surgical outcomes and may help clinical decision‐making and enable better presurgical evaluation. [ABSTRACT FROM AUTHOR]

The requirements for the chemical to act as a primary explosive, its importance, and the hazards associated with heavy‐metal‐based primary explosives are all well‐stated in this review. In addition, it outlined the limitations of the heavy‐metal‐free primary explosives already in use. This analysis underlines the importance of green primary explosives with updated information. It summarizes the possible candidates of metal‐free new generation green primary explosives, including their preparation routes, energetic properties, applications, and comparisons to traditional primary explosives. Furthermore, this analysis also aims to discuss the necessity for metal‐free primary explosives as well as the significant problem of replacing traditional primary explosives. [ABSTRACT FROM AUTHOR]

Aims: Entorhinal cortex (EC) deep brain stimulation (DBS) has shown a memory enhancement effect. However, its brain network modulation mechanisms remain unclear. The present study aimed to investigate the functional connectivity in the rat hippocampal‐cortex network and episodic‐like memory performance following EC‐DBS. Methods: 7.0 T functional MRI (fMRI) scans and episodic‐like memory tests were performed 3 days and 28 days after EC‐DBS in healthy rats. The fMRI data processing was focused on the power spectra, functional connectivity, and causality relationships in the hippocampal‐cortex network. In addition, the exploration ratio for each object and the discrimination ratio of the "when" and "where" factors were calculated in the behavioral tests. Results: EC‐DBS increased the power spectra and the functional connectivity in the prefrontal‐ and hippocampal‐related networks 3 days after stimulation and recovered 4 weeks later. Both networks exhibited a strengthened connection with the EC after EC‐DBS. Further seed‐based functional connectivity comparisons showed increased connectivity among the prefrontal cortex, hippocampus and EC, especially on the ipsilateral side of DBS. The dentate gyrus is a hub region closely related to both the EC and the prefrontal cortex and receives information flow from both. Moreover, acute EC‐DBS also enhanced the discrimination ratio of the "where" factor in the episodic‐like memory test on Day 3. Conclusion: EC‐DBS caused a reversible modulation effect on functional connectivity in the hippocampal‐cortex network and episodic‐like memory performance. [ABSTRACT FROM AUTHOR]

Simple sequence repeat (SSR) markers play an important role in genetic and molecular breeding programs, especially for non‐model species. We identified SSRs from expressed sequence tags (EST‐SSRs) and whole genome sequences (gSSRs), by analysing the transcriptome and genome of the Mongolian sea buckthorn (Hippophae rhamnoides subsp. mongolica) cultivar 'Sunny'. Using the same number of loci, EST‐SSRs showed higher transferability to Hippophae than gSSRs, and phylogenetic trees based on EST‐SSRs demonstrated higher resolution for classifying Hippophae species and subspecies into clades, possibly due to high conservatism and/or existence of adaptive divergence between species/subspecies in coding sequence regions. In contrast, parentage analyses showed that gSSRs were more effective at resolving parentage than EST‐SSRs due to higher level of polymorphism in gSSRs. The markers developed in this study can be used in the identification and pedigree reconstruction of species/subspecies of sea buckthorn, while their usage in clarifying phylogenetic relationship among species remains to be discussed. The comparison between EST‐SSRs and gSSRs would provide insight into the trade‐off between differentiation and polymorphism in marker selection for breeding programs. [ABSTRACT FROM AUTHOR]

Summary: Enzymatically derived peptides from different proteins have displayed the potential to provide health benefits. Present research aims to obtain the functional peptides and improve the economic value of camellia seed cake via enzymatic hydrolysis. Camellia seed cake protein hydrolysates (CSCPH) prepared with alcalase demonstrated higher α‐glucosidase inhibitory activity. After ultrafiltration, the α‐glucosidase inhibitory activity of different components was compared. The component (CSCPH‐IV) with the highest activity was selected for further separation and purification. The peptides were purified using reverse‐phase high‐performance liquid chromatography (RP‐HPLC) twice and identified as GHSLESIK, GLTSLDRYK and SPGYYDGR by liquid chromatography‐tandem mass spectrometry (LC‐MS/MS). Subsequently, the preliminarily inhibitory effect of these peptides on α‐glucosidase activity was demonstrated by the molecular docking model. These results showed that three novel peptides isolated from the hydrolysates of camellia seed cake have the potential to be used as anti‐diabetic compounds for the development of functional foods. [ABSTRACT FROM AUTHOR]

The classification of the distinct group of mesenchymal neoplasms, first described as 'Xp11 translocation perivascular epithelioid cell tumor (PEComa)' and for which the term 'melanotic Xp11 neoplasm' or 'Xp11 neoplasm with melanocytic differentiation' has recently been proposed, remains challenging and controversial. We collected 27 melanotic Xp11 neoplasms, the largest series to date, for a comprehensive evaluation. Fourteen of the cases, together with eight alveolar soft part sarcomas (ASPS), nine conventional PEComas and a control group of seven normal tissues were submitted to RNA sequencing. Follow‐up available in 22 patients showed 5‐year overall survival and 5‐year disease‐free survival of 47.6 and 35.7%, respectively, which were similar to ASPS and significantly worse than conventional PEComa. Univariate analysis of location (occurring in the kidney versus not kidney), infiltrative growth pattern, nuclear pleomorphism, mitotic activity ≥2/50 high‐power fields (HPF), necrosis and lymphovascular invasion were found to be associated with overall survival and/or disease‐free survival. Multivariate analysis identified that location was the only factor found to independently correlate with disease‐free survival. More importantly, RNA sequencing‐based clustering analysis segregated melanotic Xp11 neoplasm and ASPS from other tumors, including conventional PEComa and Xp11 translocation renal cell carcinoma, and formed a compact cluster representative of the largely similar expression signature. Here we clearly define the true biologic nature of melanotic Xp11 neoplasms which are distinctive malignant mesenchymal tumors, rather than simply PEComa variants with occasionally unpredictable behavior. Meanwhile, melanotic Xp11 neoplasm and ASPS more likely represent phenotypic variants of the same entity, which is distinct from conventional PEComa and Xp11 translocation renal cell carcinoma. Based on these important findings, melanotic Xp11 neoplasm might be reclassified into a distinctive entity together with ASPS, independent from PEComa, in future revisions of the current WHO categories of tumors of soft tissue and bone for the improved reclassification. © 2020 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Objectives: Glial cell activation contributes to the inflammatory response and occurrence of epilepsy. Our preliminary study demonstrated that the long non‐coding RNA, H19, promotes hippocampal glial cell activation during epileptogenesis. However, the precise mechanisms underlying this effect remain unclear. Materials and methods: H19 and let‐7b were overexpressed or silenced using an adeno‐associated viral vector in vivo. Their expression in a kainic acid‐induced epilepsy model was evaluated by real‐time quantitative PCR, fluorescence in situ hybridization, and cytoplasmic and nuclear RNA isolation. A dual‐luciferase reporter assay was used to evaluate the direct binding of let‐7b to its target genes and H19. Western blot, video camera monitoring and Morris water maze were performed to confirm the role of H19 and let7b on epileptogenesis. Results: H19 was increased in rat hippocampus neurons after status epilepticus, which might be due to epileptic seizure‐induced hypoxia. Increased H19 aggravated the epileptic seizures, memory impairment and mossy fibre sprouting of the epileptic rats. H19 could competitively bind to let‐7b to suppress its expression. Overexpression of let‐7b inhibited hippocampal glial cell activation, inflammatory response and epileptic seizures by targeting Stat3. Moreover, overexpressed H19 reversed the inhibitory effect of let‐7b on glial cell activation. Conclusions: LncRNA H19 could competitively bind to let‐7b to promote hippocampal glial cell activation and epileptic seizures by targeting Stat3 in a rat model of temporal lobe epilepsy. [ABSTRACT FROM AUTHOR]

A new family of pyrimidine modified tetrazole & azido derivatives (1‐16) was developed using the conventional and nucleophilic substitution methods. The 1H‐tetrazol‐1‐yl)pyrimidine (1‐10) compounds were prepared via traditional cycloaddition and condensation method. The compounds tetrazolo[1,5‐a]pyrimidine (11 a,12 a, and 13 a), azido‐(1H‐tetrazol‐1‐yl)pyrimidine (14 a and 15 a) and tetrazolo[1,5‐c]pyrimidine (16 a) were synthesized by simultaneously introducing conventional and nucleophilic substitution approaches. The latter technique was easy to process and reduce the synthesis time. The factors (solvent, temperature, steric effect, electron‐donating groups, and electron‐withdrawing groups) were found responsible for steering the azido‐tetrazole equilibrium in the compounds 11 a, 12 a, 13 a, and 16 a. All the prepared compounds were well characterized including single‐crystal X‐ray diffraction structures of 1, 3, 4, 6, 8, 10, 11 a, 12 a, 13 a, 14 a, 15 a, and 16 a. Thermal behaviour was investigated by differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA). The current work is significant to the development of a new class of pyrimidine modified tetrazole and azido derivatives in sense of easy reaction approach, good to excellent yields, safe process, and simple work‐ups. [ABSTRACT FROM AUTHOR]

Vegetation restoration has been widely implemented as an effective approach to the control of soil erosion. However, severe soil desiccation is likely to occur if vegetation types and local precipitation conditions are not accounted for. In this study, an abandoned farmland and three typical vegetation types, including a natural shrubland, a plantation of black locust, and a natural oak secondary forest, were investigated to determine the characteristics of soil moisture in different hydrological years. The responses of soil moisture to precipitation were analysed at different timescales. Higher soil water contents were observed either in wet years or for natural vegetation types. The temporal response of soil moisture to precipitation was largely dependent on the timescale. At monthly scale, shallow soil moisture (0–100 cm) varied consistently with precipitation, whereas on interannual scale, precipitation is positively related to soil moisture along the whole profiles. Black locust and oak lands consumed more soil moisture than the shrubland, and severe soil desiccation developed in deep soil layers in the black locust plantation. The shrubland showed steeper regression slopes than other types for both the changes in soil water storage over time (ΔSWSt) versus the growing season precipitation and the difference in soil water storage with the abandoned farmland (ΔSWSv) versus the growing season precipitation, suggesting its higher adaptability to precipitation changes in this region. The results indicate that the shrubland develops optimal water use strategies through coevolution with local conditions and should be given precedence in vegetation restoration initiatives in this region. [ABSTRACT FROM AUTHOR]

The NZB/W F1 (F1) mice develop severe disease that is similar to human systemic lupus erythematosus. By contrast, each parent strain, NZB or NZW, has limited autoimmunity, suggesting traits of both strains contribute to pathogenesis. Although many of the contributing genes have been identified, the contributing cellular abnormality associated with each parent strain remains unresolved. Given that plasmacytoid dendritic cells (pDCs) are key to the pathogenesis of lupus, we investigated the properties of pDCs from NZB and NZW mice. We found that NZB mouse had higher numbers of pDCs, with much of the increase being contributed by a more abundant CD8+ pDC subset. This was associated with prolonged survival and stronger proliferation of CD4+ T cells. By contrast, NZW pDCs had heightened capacity to produce interferon‐α (IFNα) and IFNλ, and promoted stronger B‐cell proliferation upon CpG stimulation. Thus, our data reveal the different functional and numerical characteristics of pDCs from NZW and NZB mouse. [ABSTRACT FROM AUTHOR]

Background: Panel‐based targeted exome sequencing was applied to identify the pathogenic variants and genetic characteristics of retinitis pigmentosa (RP) in two Chinese families, and to gain a deeper understanding of the relationship between clinical manifestations and genotypes. Methods: A total of 17 subjects, comprising two probands (total patients: four subjects) and their family member, were recruited in this study. All subjects underwent comprehensive ophthalmic examinations and clinical evaluations, and the complete history and medical records were collected according to the standard procedures. All participants were screened using the multigene panel test (Target_Eye_792_V2 chip), and Sanger sequencing was used to confirm the candidate variants. Results: Among these two families, a total of three novel mutations in the EYS gene were identified in patients, including a homozygous frameshift mutation c.9252_9253insT detected in two patients in one family, and the compound heterozygous splicesite mutation c.5644+2T>C and frameshift mutation c.1920_1923delTGAG detected in two patients in the another family. All patients in both families had early onset of night blindness and poor visual acuity, and with typical posterior capsule opacification. The mutation co‐segregated within all recruited individuals. In addition, one patient with compound heterozygous mutations was found to have typical blue‐blindness symptoms and detected a previously reported disease‐causing mutation c.235G>A in OPN1SW gene, which caused blue blindness manifestations and was first discovered in patient combined with RP causative genes. Conclusions: Panel‐based targeted exome sequencing was used to identify three novel variants of RP causative gene, and we also detected a known pathogenic variants of blue‐blindness causative genes in two patients. Our finding will provide a powerful basis for genetic counseling and enhance our current understanding of the genetics factors for RP families. [ABSTRACT FROM AUTHOR]

Objective: To compare the efficacy of subthalamic nucleus (STN) and globus pallidus internus (GPi) deep brain stimulation (DBS) on reducing levodopa‐induced dyskinesia (LID) in Parkinson's disease, and to explore the potential underlying mechanisms. Methods: We retrospectively assessed clinical outcomes in 43 patients with preoperative LID who underwent DBS targeting the STN (20/43) or GPi (23/43). The primary clinical outcome was the change from baseline in the Unified Dyskinesia Rating Scale (UDysRS) and secondary outcomes included changes in the total daily levodopa equivalent dose, the drug‐off Unified Parkinson Disease Rating Scale Part Ⅲ at the last follow‐up (median, 18 months), adverse effects, and programming settings. Correlation analysis was used to find potential associated factors that could be used to predict the efficacy of DBS for dyskinesia management. Results: Compared to baseline, both the STN group and the GPi group showed significant improvement in LID with 60.73 ± 40.29% (mean ± standard deviation) and 93.78 ± 14.15% improvement, respectively, according to the UDysRS score. Furthermore, GPi‐DBS provided greater clinical benefit in the improvement of dyskinesia (P < 0.05) compared to the STN. Compared to the GPi group, the levodopa equivalent dose reduction was greater in the STN group at the last follow‐up (43.81% vs. 13.29%, P < 0.05). For the correlation analysis, the improvement in the UDysRS outcomes were significantly associated with a reduction in levodopa equivalent dose in the STN group (r = 0.543, P = 0.013), but not in the GPi group (r = −0.056, P = 0.801). Interpretation: Both STN and GPi‐DBS have a beneficial effect on LID but GPi‐DBS provided greater anti‐dyskinetic effects. Dyskinesia suppression for STN‐DBS may depend on the reduction of levodopa equivalent dose. Unlike the STN, GPi‐DBS might exert a direct and independent anti‐dyskinesia effect. [ABSTRACT FROM AUTHOR]

Background: This study aimed to determine the effectiveness and safety of surgery combined with postoperative 125I seed brachytherapy for treatment of primary mucoepidermoid carcinoma (MEC) of the parotid gland. Methods: Retrospective analysis of data of patients with MEC (n = 108) treated with surgery plus postoperative 125I seed brachytherapy between 2004 and 2016. Overall survival (OS), disease‐free survival (DFS), local control rate (LCR), distant metastasis, and radiation‐associated toxicities were analyzed, and factors affecting outcomes were evaluated. Results: The 5‐ and 10‐year OS were 98.8% and 95.8%, respectively. The DFS and LCR at 5 and 10 years were all 91.4%. Age ≥ 60 years (hazard ratio [HR] = 6.86, 95% confidence interval [CI]: 1.54‐30.55) and T4 disease (HR = 7.15, 95% CI: 1.40‐36.52) were poor prognostic factors. Acute radiation‐associated toxicities were minor. Conclusion: Surgery plus 125I seed brachytherapy appears to be an effective treatment for parotid gland MEC, capable of providing satisfactory outcomes with few complications. [ABSTRACT FROM AUTHOR]

Objective: To report clinical experience with presurgical evaluation in patients with insulo‐opercular epilepsy. Quantitative analysis on PET imaging and stereoelectroencephalography (SEEG) signals was used to summarize their electroclinical features. Methods: Twenty‐two patients with focal epilepsy arising from the insular and/or opercular cortex according to SEEG were retrospectively analyzed. Presurgical noninvasive data were analyzed in detail. Interictal PET data of patients were then statistically compared with those of healthy controls to identify the interictal hypometabolic network. The epileptogenicity index (EI) of ictal SEEG signal was computed to identify areas of spread at the beginning of seizure onset. Results: Focal tonic seizures of the face and/or neck (16/22, 73%) were the most prevalent early objective signs. Epileptic discharges in the interictal and ictal scalp‐EEG mostly showed an ipsilateral perisylvian distribution. Statistical analysis of interictal PET showed significant hypometabolism in the insular lobe, central operculum, supplementary motor area, middle cingulate cortex, bilateral caudate nuclei, and putamen. According to the EI analysis, insulo‐opercular epilepsy could be classified as insulo‐opercular epilepsy (50%), opercular epilepsy (41%), and insular cortex epilepsy (9%). Significance: Clinical diagnosis of insulo‐opercular epilepsy is challenging because of its complex seizure semiology and nonlocalizing discharges on scalp‐EEG. A common hypometabolic network involving the insulo‐opercular cortex, mesial frontal cortex and subcortical nuclei may be involved in the organization of the insulo‐opercular epilepsy network. Furthermore, quantified SEEG analysis suggested that pure insular epilepsy is rare, and the close connection between insular and opercular cortex necessitates SEEG implantation to define the epileptogenic zone. [ABSTRACT FROM AUTHOR]

Objective: Oroalimentary automatisms (OAAs) are common clinical manifestations of medial temporal lobe epilepsy. Nevertheless, the location of the symptomatogenic zone of OAAs remains unclear. The generation mechanism of OAAs also has not been clarified. We attempt to explain these problems by analyzing interictal [18F]‐fluorodeoxyglucose positron emission tomography (18FDG‐PET) imaging and ictal stereo‐electroencephalography (SEEG) recordings in patients with medial temporal lobe epilepsy. Methods: Fifty‐seven patients with mesial temporal lobe epilepsy were analyzed retrospectively. All underwent anterior temporal lobectomy (ATL) and were seizure‐free. The patients were divided into OAA (+) and OAA (−) groups according to the occurrence of consistent stereotyped OAAs. The interictal PET data were compared with those of 18 healthy controls and were then compared between groups using statistical parametric mapping (SPM). Functional connectivity using linear regression analysis was performed between the target brain regions. To clarify the network of OAAs, ictal epileptogenicity index (EI) values, and the nonlinear correlation method h2 were performed with SEEG on patients. Results: Compared to OAAs (−), the rolandic operculum was the only area with significant differences. Hippocampus and rolandic operculum showed significant correlations in the OAA (+) group (y = 0.758x+0.470, R2 = 0.456, P = 0.000). No correlation was found in the OAA (−) group (P = 0.486). The EI values of the OAA (+) group (median 0.20) were significantly higher (P < 0.0001) than those of the OAA (−) group (median 0). The h2 in the OAA (+) group (h2 = 0.23 ± 0.13) showed stronger functional connectivity (t = 6.166, P < 0.0001) than that of the OAA (−) group (h2 = 0.08 ± 0.05). Significance: The rolandic operculum is most likely to be the symptomatogenic zone of OAAs. In medial temporal lobe epilepsy, unilateral functional connection from the hippocampus to the rolandic operculum during seizure onset is the basis for the generation of OAAs. [ABSTRACT FROM AUTHOR]

Summary: Objective: We aimed to study the networks' mechanism of metabolic covariance networks in mesial temporal lobe epilepsy (mTLE), through examining the brain value of fluorine‐18‐fluorodeoxyglucose positron emission tomography (18F‐FDG‐PET). Methods: 18F‐FDG‐PET images from 16 patients with mTLE were analyzed using local and global metabolic covariance network (MCN) approaches, including whole metabolic pattern analysis (WMPA), hippocampus‐based (h‐) MCN, whole brain (w‐) MCN, and edge‐based connectivity analysis (EBCA). Results: WMPA showed a typical ipsilateral hypometabolism and contralateral hypermetabolism pattern to epileptic zones in mTLE. h‐MCN revealed decreased hippocampus‐based synchronization in contralateral regions. w‐MCN exhibited a disrupted metabolic network with globally increased small‐world properties and regionally decreased nodal metrics in the ipsilateral hemisphere. Hippocampus (h)‐EBCA and whole brain EBCA (w‐EBCA) both detected a reduced‐connectivity dominated metabolic covariant network. Moreover, the reduced interhemisphere connectivity seemingly played a major role in the aberrant epileptic topological pattern. Conclusion: From a metabolic point of view, we demonstrated the damaging effects with reduced contralateral intranetwork metrics properties and the compensatory effects in contralateral intranetworks with increased network properties. However, the import role of significant reduced interhemisphere connection has rarely been reported in other mTLE studies. Taken together, 18F‐FDG‐PET MCN analysis provides new evidence that the mTLE is a system neurological disorder with disrupted networks. [ABSTRACT FROM AUTHOR]

We always pursue improved energetic performances such as high formation enthalpies, moderate sensitivities and stabilities for all energetic compounds. 1,3,5‐trinitroperhydro‐1,3,5‐triazine (RDX) is a very classic high‐energy explosive which has been applied in both military and civilian fields broadly, whose combustion properties can be enhanced by introducing hydrogen‐storage compounds such as Lithium amidoborane (LAB). Here we apply CPMD method to study how LAB affects a traditional nitramine explosive (RDX) in a simulated detonation. The theoretical results show there are abundant exothermic reactions caused by the introduction of LAB, which suggests hydrogen‐storage material is a prospective assistant ingredient for composite explosives. We apply CPMD method to study how LAB affects a traditional nitramine explosive (RDX) in a simulated detonation. Here we have observed 176 species and more than 200 elementary reactions in one unit cell. The main products are CO2, N2, NH3, H2O, N2O and NO. Compared with the decomposition of pure RDX, the entropy and the corresponding released energy are significantly improved for LAB‐RDX. [ABSTRACT FROM AUTHOR]

Summary: Objective: Although abnormal hippocampal structure and impaired spatial memory have been revealed in a pilocarpine rat model of temporal lobe epilepsy (TLE), the brain functional network changes are still unclear. The aim of the present study was to investigate the changes of brain functional connectivity related to the hippocampus and the associated memory impairment in a pilocarpine model of TLE. Methods: Functional magnetic resonance imaging signals were recorded in pilocarpine‐treated rats and controls by using a 7.0 T magnetic resonance scanner, and independent component analysis was performed to determine the hippocampal functional network. Behavioral tests, including novel location test, novel object test, and episodic memory test, were utilized to evaluate different aspects of memory impairment. Results: Memory impairment was observed in the TLE group in all three behavior tests. As compared to control, decreased connectivity of the hippocampal functional network was observed in the anterior dorsal hippocampus, the amygdala, the thalamus, the motor cortex, and the somatosensory cortex in the TLE group. Meanwhile, increased connectivity was found in the visual cortex, the mesencephalon, and the insula in the TLE group. Correlation analysis revealed that functional connections between the hippocampal network and brain regions such as the dorsal hippocampus and the thalamus specifically relate to the spatial memory behavior, whereas connections between the hippocampal network and regions such as the amygdala, the motor cortex, the somatosensory cortex, and the mesencephalon relate to both the spatial and the object memory performance. Significance: Our results indicated a trend of decreased connectivity in the hippocampal functional network, as well as spatial, object, and episodic memory impairment in the pilocarpine‐induced TLE rat. Moreover, connections within the hippocampal network showed a relationship with spatial memory, and connections between the hippocampal network and regions in other networks revealed an association with both spatial and object memory. [ABSTRACT FROM AUTHOR]

A hyper conjugated structure, picryl chloride functionalized 1-picrylamino-tetrazol-5-one, was synthesized by a nucleophilic substitution reaction. The single crystals of 1-picrylamino-tetrazol-5-one were cultured and determined by X-ray single-crystal diffractometer. The thermal behavior was investigated by differential scanning calorimetry (DSC) and thermogravimetry-derivative thermogravimetry (TG-DTG) technologies. Additionally, the sensitivities towards friction and impact were tested. The results show that the hyper conjugated structure adopts a π-π stacking, besides, many strong interactions such as nitro-π and hydrogen bonding interactions were observed. All of them together make a contribution to its enhanced thermal stability and reduced sensitivities. 1-Picrylamino-tetrazol-5-one turns out to be a representative of hyper conjugated structures in energetic materials, and may further strengthen the functionalization of picryl chloride with energetic tetrazoles. [ABSTRACT FROM AUTHOR]

Five energetic salts of 3,6-bishydrazino-1,2,4,5-tetrazine (BHT), namely (BHT)2(NTO)3 (3), (BHT)(BTT)·2H2O (4), (BHT)(DNP)2 (5), (BHT)(NATr)2 (6), and (BHT)(FOX-7)2 (7), were synthesized and fully characterized by elemental analysis, FT-IR, and mass spectra. The crystal structures of salts 3 and 4 were obtained and determined. Sensitivities towards outside stimuli and thermal behaviors of all the compounds were investigated, besides, thermodynamics of both 3 and 4 were calculated as well. The compounds 3-7 exhibit splendid thermal stabilities and satisfactory sensitivities simultaneously. Notably, unlike the previously known layered packing, compound 4 was found to adopt an unusual layered crystal packing with arch layers alternately arranged upward or downward. It may play an important role in contributing to its superior thermal stability (350 °C), providing an enlightening thinking to design new highly thermal stable energetic materials. [ABSTRACT FROM AUTHOR]

In the present work, the authors study the tribological characteristics of textured stainless steel surfaces with different texture depths ranging from 1.3 to 23 µm created by laser surface texturing and ultra‐precision diamond cutting. The periodicity of the surface textures is kept constant at 90 µm for each fabrication technique and texture depth. Subsequent ball‐on‐disk friction tests show that friction and wear can be effectively reduced by the surface texturing. It is found that the effectiveness of the surface textures greatly depends on the depth and the geometry of the textures, as well as on testing parameters such as the applied load and the sliding velocity. Surface textures with the lowest depth demonstrate a slightly increased COF as well as an increased mass loss under low loads or sliding velocities. On the other hand, surface textures with intermediate depths show a significant reduction in the COF and wear. The observed friction and wear reduction can be mainly attributed to a combined effect of the surface textures consisting of the generation of an additional hydrodynamic pressure, the storage of produced wear particles as well as the action as secondary source for lubricant (reservoir effect). [ABSTRACT FROM AUTHOR]

Density functional theory methods were used to study on 2 N10 compounds, 1,1′-azobis(tetrazole) and 1,1′-azobis(5-methyltetrazole). We systematically investigated 10 novel substituted azobis(tetrazoles) with 10 catenated nitrogen atoms and various energetic groups (-CF3 1, -C(NO2)3 3, -N3 5, -NH2 6, -NHNH2 7, -NHNO2 8, -NO2 9, -OCH3 10, -OH 11, -ONO2 12). The optimized geometry, frontier molecular orbitals, electrostatic potential, Infrared and nuclear magnetic resonance spectrum were calculated for inspecting the molecular structure and stability as well as chemical reactivity. The effects of different substituents on the density, enthalpy of formation, heat of explosion, detonation velocity and pressure, and sensitivity of the azobis(tetrazole) derivatives have been investigated. Compound 9 with nitro was found to have remarkable detonation performances ( D = 9.61 km/s, P = 42.14 GPa), which are close to the excellent explosive CL-20. Results show that compounds 1, 3, 4, 7, 9, 11, and 12 have high potential to replace RDX. It is surprising that compounds 1, 3, 9, and 12 possess better energetic properties than HMX. These novel substituted azobis(tetrazoles) with unique N10 structure may be promising candidates of HEDMs with outstanding performance and acceptable sensitivities. [ABSTRACT FROM AUTHOR]

The design and synthesis of new environmentally friendly energetic materials with excellent performance and reliable safety have received considerable attention. A new energetic salt of semicarbazide 5-dinitromethyltetrazolate (SCZ ⋅DNMZ) was synthesized by using semicarbazide and 5-dinitromethyltetrazolate (DNMZ) as raw materials, and fully characterized by using elemental analysis, FT-IR spectroscopy, 1H, 13C, and 15N nmR and mass spectrometry. The monocrystal of the salt was obtained and the structure was determined by X-ray single-crystal diffractometer. Results show that it belongs to monoclinic space group P21/ c with a high density of 1.867 g cm−3. The thermal decomposition behavior was tested by DSC and TG-DTG technologies; the non-isothermal kinetic parameters for the salt were calculated. The enthalpy of formation for the salt is directly dependent on the combustion heats data with a result of 341.5 kJ mol−1, which is about three times higher than that of RDX. The detonation pressure ( P) and detonation velocitiy ( D) of the salt were determined as 8931 m s−1 and 36.2 GPa, which are also higher than that of RDX. The impact sensitivity was tested with a result of 10.8 J. We can draw a safe conclusion that the salt has provided a promising future by using as a kind of explosive alternative. The discovery also contributes significantly to the expansion and application of the N-heterocyclic compounds applied as energetic materials. [ABSTRACT FROM AUTHOR]

Magnesium azotetrazole-1,1'-dioxide (1) was first prepared and intensively characterized by single-crystal X-ray diffraction, IR spectroscopy, mass spectrometry, elemental analysis, and DSC measurements. The heat of formation was calculated using the atomization energy method based on quantum chemistry and the heat of detonation was also predicted. The NBO analysis was performed for inspecting charge distributions. The sensitivities towards impact and friction were tested using the BAM standard. The high detonation performance (5289 kJ·kg-1), good thermal stabilities (245.5 °C) and excellent insensitivity (39.2 J and >360 N) as well as clean decomposition products supports it of great interest as a promising candidate of green insensitive energetic materials. [ABSTRACT FROM AUTHOR]

Two salts based on 1H,1'H-5,5'-bitetrazole-1,1'-diolate (BTO) anion with pyrazole (1) and imidazole (2) cations were synthesized with metathesis reactions. Structural characterization was accomplished for them by using the element analysis, Fourier transform infrared spectroscopy (FT-IR), NMR and mass spectrum, and Xray single crystal diffraction. Thermal analysis for the title salts were determined by means of differential scanning calorimetry (DSC) and thermogravimetry-derivative thermogravimetry (TG-DTG) as well as the calculation of non-isothermal kinetic parameters. Consequently, both salts shown acceptable thermal stabilities as the decomposition temperatures were over 200 °C. The enthalpies of formation were calculated for these salts using the measured combustion energies with a result of 70.6 kJ·mol-1 for 1 and -47.8 kJ·mol-1 for 2, respectively. Impact and friction sensitivities were also tested and the results indicated that these salts both have low sensitivities (>40 J, 120 N). The title energetic salts possess acceptable performance, they can therefore be applied in the field of energetic materials. [ABSTRACT FROM AUTHOR]

Background The purpose of this study was to present our preliminary exploration of safety and efficacy of postoperative low-dose-rate brachytherapy for the early clinical stages of minor salivary gland carcinomas of the lip and buccal mucosa. Methods Twenty-seven patients with the early stages of minor salivary gland carcinomas of the lip and buccal mucosa received postoperative 125I seed interstitial brachytherapy from March 2005 to May 2015. Actuarial likelihood estimates for local control, overall survival, and disease-free survival were calculated by Kaplan-Meier method. Results The actuarial 3-year, 5-year, and 10-year local control rates were 94.7%, 82.9%, and 82.9%, respectively. The actuarial 3-year, 5-year, and 10-year overall survival rates were 93.3%, 93.3%, and 77.8%, respectively. No patient experienced toxicity above grade 2. Conclusion Postoperative 125I seed interstitial brachytherapy is an alternative to radical surgery for early stages of minor salivary gland carcinomas of the lip and buccal mucosa, which offers satisfactory cosmetic and functional outcomes. © 2017 Wiley Periodicals, Inc. Head Neck 39: 572-577, 2017 [ABSTRACT FROM AUTHOR]

The high energy density compound octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and the strong exothermic compound LiH represent an excellent principal explosive and an active fuel, respectively. Herein, the energetic characteristics of HMX-based explosives are explored by adding LiH as fuel additive. The detonation parameters of HMX-based explosives containing LiH were tested with free-field explosion experiments and compared with those of traditional TNT, HMX, and aluminized explosives. The results show that the explosives exhibit higher energy and present preferable explosion effect when LiH is added as an explosive ingredient. The improvement of impulse is more than 32.8 % at 2 m. The shock wave peak overpressure increases by almost 40 % at a distance of 3 m from detonation center specially for the explosive containing both LiH and Al additives. Elemental H and Li are expected to release tremendous energy to effectively improve the explosives instant damage power, but the detonation duration is shorter than that of Al-containing mixed explosives, which may limit the advantage over Al in the impulse. Li2CO3 powder is the solid product of HMX/LiH, which explains the LiH oxidation during the explosion. The exothermic processes in the formation are the reason for the increased energy of HMX/LiH explosives. These results can provide guidance to a potential energetic system formed by HMX and LiH. [ABSTRACT FROM AUTHOR]

The ten-coordinate complex, (HATr)[Na(DNMz)] ·H2O ( 1) was synthesized by reaction of 5-(dinitromethylene)-4,5-dihydro-1 H-tetrazole (DNMz), sodium hydroxide, and 3-hydrazinium-4-amino-1,2,4-1 H-triazolium dichloride (HATr) in aqueous solution and characterized by various physico-chemical techniques. Complex 1 is an energetic material with a nitrogen content of 51.2 % and a decomposition temperature of 128.9 °C. The molecular structure of complex 1 crystallizes in the monoclinic system with P2(1)/ c group and shows an infinite 1D chain structure. The heat of formation was determined as -122.27 kJ ·mol-1 by using bomb calorimetry. In addition, the kinetic parameters were studied by Kissinger's and Ozawa-Doyle's methods. [ABSTRACT FROM AUTHOR]

Objective To analyze the local field potential ( LFP) of the anterior nucleus of the thalamus ( ANT) of epileptic rats using the Generic Osorio-Frei algorithm ( GOFA), and to determine the ability of the ANT LFP to predict clinical seizures in temporal lobe epilepsy. Methods GOFA is an advanced real-time technique used to detect and predict seizures. In this article, GOFA was utilized to process the electrical signals of ANT and the motor cortex recorded in 12 rat models of temporal lobe epilepsy ( TLE) induced via the injection of kainic acid into the unilateral hippocampus. The electroencephalography ( EEG) data included (1) 161 clinical seizures (each contained a 10-min segment) involving the ANT and cortical regions and (2) one hundred three 10-min segments of randomly selected interictal (no seizure) data. Results Minimal false-positives (0.51 ± 0.36/h) and no false-negatives were detected based on the ANT LFP data processed using GOFA. In ANT LFP, the delay from electrographic onset ( EO) to automated onset ( AO) was 1.24 ± 0.47 s, and the delay from AO to clinical onset ( CO) was 7.73 ± 3.23 s. The AO time occurred significantly earlier in the ANT than in the cortex (p = 0.001). In 75.2% of the clinical onsets predicted by ANT LFP, it was 1.37 ± 0.82 s ahead of the prediction of cortical potentials ( CPs), and the remainder were 0.84 ± 0.31 s slower than the prediction of CPs. Significance ANT LFP appears to be an optimal option for the prediction of seizures in temporal lobe epilepsy. It was possible to upgrade the responsive neurostimulation system to emit electrical stimulation in response to the prediction of epileptic seizures based on the changes in the ANT LFP. [ABSTRACT FROM AUTHOR]

As a key research objective for environmentally friendly energetic materials, energetic salts without heavy metal have received wide attention. The energetic salts DAG·PA·H2O (1) and DAG·TNR·H2O (2) were synthesized by using diamino-glyoxine (DAG) and picric acid (PA) or 2,4,6-trinitro-resorcinol (TNR) as raw materials, and their structures were characterized by elemental analysis, FT-IR, ¹H NMR, and 13C NMR spectroscopy. Single crystals of the title salts were cultured and their structures were determined by Xray single-crystal diffraction. Both salts belong to the triclinic space group P1 with density values of 1.764 and 1.751 g·cm-3, respectively. The thermal decomposition behaviors of both salts were investigated by differential scanning calorimetry (DSC), the non-isothermal kinetic parameters and the critical temperature of thermal explosion were calculated. The heats of formation for the salts were also determined through the combustion heats date measured by using the oxygen bomb calorimetry. In addition, the detonation pressure (P) and detonation velocities (D) of the salts were predicted by using the K-J equations, and their sensitivities towards impact and friction were tested. The results indicated that the title salts have potential applications in the field of energetic materials. [ABSTRACT FROM AUTHOR]

Energetic materials (explosives, propellants, and pyrotechnics) are used extensively for both civilian and military applications and the development of such materials, particularly in the case of energetic salts, is subject to continuous research efforts all over the world. This Review concerns recent advances in the syntheses, properties, and potential applications of ionic salts based on tetrazole N-oxide. Most of these salts exhibit excellent characteristics and can be classified as a new family of highly energetic materials with increased density and performance, alongside decreased mechanical sensitivity. Additionally, novel tetrazole N-oxide salts are proposed based on a diverse array of functional groups and ions pairs, which may be promising candidates for new energetic materials. [ABSTRACT FROM AUTHOR]

Energetic salts of en ·PA ·H2O and en ·TNR were synthesized by using ethylenediamine and picric acid (PA) or 2,4,6-trinitroresorcinol (TNR) as raw materials, and their structures were characterized by elemental analysis and FT-IR spectroscopy. Single crystals of the title salts were obtained and their structures were determined by single-crystal X-ray diffraction. The thermal decomposition behaviors were investigated by DSC and TG-DTG technologies, furthermore the non-isothermal kinetic parameters and enthalpies of formation for the salts were calculated. Their combustion heats were measured by oxygen bomb calorimetry and their enthalpies of formation were also calculated based on the combustion heat data. In addition, the detonation pressure ( P) and detonation velocities ( D) of the salts were predicted by using the K-J equations. The results indicated that the title salts have potential applications in the field of energetic materials. [ABSTRACT FROM AUTHOR]

A series of amino-triazolium salts based on 4,5-dicyano-1,2,3-triazolate (C4N5-) anion were synthesized for first time by means of facile deprotonation reactions. The ionic compounds were characterized by single-crystal X-ray diffraction, vibrational spectroscopy, and elemental analysis. The thermal stability of the salts was assessed by differential scanning calorimetry, which showed good thermal stabilities up to above 180 °C. The heats of formation of these salts were computed using the methods of isodesmic reactions. In addition, the sensitivities of the studied salts toward impact and friction were determined, and all salts were found to be neither impact (> 40 J) nor friction sensitive (>360 N). [ABSTRACT FROM AUTHOR]

Two novel energetic nitrogen-rich compounds 1,4-diaminotetrazol-5-one (DATO) and 1,4-dinitrotetrazol-5-one (DNTO) were proposed first and studied by quantum chemistry method with B3LYP/6-31G* level of theory. The optimized geometry, IR predicted spectrum and thermochemical parameters, frontier molecular orbitals and molecular electrostatic potential were calculated for inspecting the electronic structure, molecular stability and chemical reactivity. The important macroscopic properties including density, enthalpy of formation, detonation parameters and impact sensitivity have been predicted as well. As a result, two designed compounds DATO and DNTO possess positive enthalpy of formation (395.79 and 342.77 kJ/mol), impressive detonation parameters (D= 8.80 km/s, P = 33.69 GPa; D= 8.89 km/s, P = 34.98 GPa) superior to the remarkable explosive RDX, acceptable sensitivities and might be promising candidates of energetic materials. [ABSTRACT FROM AUTHOR]

To estimate whole-tree or stand transpiration based on sap flow measurements, sap flux density (Fd) needs to be scaled up over the entire sapwood area. We investigated radial variations in Fd in the dominant oak (Quercus liaotungensis) and a commonly occurring oriental arborvitae (Platycladus orientalis) species using Granier-type thermal dissipation probes in a semi-arid forest in northern China. Our results show that Fd in oak trees reached a maximum just below the cambium and decreased towards the inner sapwood. On the other hand, radial sap flow patterns in oriental arborvitae trees differed among individuals. Fd values at different depths within an individual were highly correlated with each other in both species. We assessed the error of single-depth measurements when upscaling to whole-tree water use using multi-depth measurements as a reference. Omitting radial variations resulted in an overestimation of daily water use by 38% and 78% in oak trees with sapwood depths of approximately 2 and 3 cm, respectively. The outer sapwood annuli (0-1 cm) contributed 74% and 65% to the total water use in the two classes of sapwood depth. These contribution coefficients may be used as correction indices for estimating whole-tree water use. Errors of omitting radial variations in oriental arborvitae trees ranged from 42% to 21%. Using relatively long sensors (e.g. 2 cm) may improve the estimate accuracy in this species. The results would be applicable to the estimation of tree or stand transpiration based on routine depth measurements using one set of sensors. It is suggested that radial variations should be considered for accurately upscaling locally measured sap flow data to whole-tree water use in trees with wide sapwood and that different approaches may be applied to species with different patterns of radial variations. [ABSTRACT FROM AUTHOR]

1,5-Daminotetrazole (DAT) is of much interest because of the practical significance and the diversity of characteristics. The study on the decomposition pathway and the kinetics of DAT has been performed based on the quantum chemistry theory. The minimum energy path (MEP) calculation has shown that NH2N3 and NH2CN are the initially detected products of DAT. And the structures of reactant, products and transition state were optimized with MP2 methods using 6-311G** basis sets, and the energies were refined using CCSD(T)/6-311G** levels of theory. The calculated rate constants were obtained using the conventional transition-state theory (TST) and the canonical variational transition-state theory (CVT) methods. The calculation results indicated that the energy barrier of decomposition reaction is 47.98 kcal mol−1 and the variational effect is small. In addition, the rate constants and the Arrhenius experience formula of DAT decomposition have been obtained between 200 and 2500 K temperature regions. The fitted three-parameter expressions calculated using the TST and CVT methods are [ABSTRACT FROM AUTHOR]

Energetic mono- and dicationic 3,4-diaminotriazolium salts have been prepared by combining stoichiometric amounts (1:1 or 2:1 molar ratio) of 3,4-diaminotriazole with various oxygen-containing tetrazoles, and the structures have been confirmed by single-crystal XRD for the first time. All structures are dominated by a strong hydrogen-bond network owing to both amino groups and oxygen in the molecule. All salts, except 7, exhibit excellent thermal stabilities with decomposition temperatures over 200 °C. Based on experimental densities and theoretical calculations carried out by using the Gaussian 03 suite of programs, all salts have calculated detonation pressures (20.3-33.9 GPa) and velocities (7095-8642 m s−1). [ABSTRACT FROM AUTHOR]