Characteristic structures of liquid crystal monomers in EI-MS analysis and the potential application in suspect screening.

Liquid crystal monomers (LCMs) are of emerging concern due to their ubiquitous presence in indoor and outdoor environments and their potential negative impacts on human health and ecosystems. Suspect screening approaches have been developed to monitor thousands of LCMs that could enter the environment, but an updated suspect list of LCMs is difficult to maintain given the rapid development of material innovations. To facilitate suspect screening for LCMs, in-silico mass fragmentation model and quantitative structure-activity relationship (QSPR) models were applied to predict electron ionization (EI) mass spectra of LCMs. The in-silico model showed limited predictive power for EI mass spectra, while the QSPR models trained with 437 published mass spectra of LCMs achieved an acceptable absolute error of 12 percentage points in predicting the relative intensity of the molecular ion, but failed to predict the mass-to-charge ratio of the base peak. A total of 41 characteristic structures were identified from an updated suspect list of 1606 LCMs. Multi-phenyl groups form the rigid cores of 85% of LCMs and produce 154 characteristic peaks in EI mass spectra. Monitoring the characteristic structures and fragments of LCMs may help identify new LCMs with the same rigid cores as those in the suspect list.

Kinetic Resolution of Sulfoximines via Asymmetric Organocatalyzed Formation of Benzothiadiazine-1-oxides.

A catalytic kinetic resolution of sulfoximines has been developed through chiral phosphoric acid-catalyzed intramolecular dehydrative cyclizations. A variety of racemic sulfoximines bearing an ortho-amidophenyl moiety underwent asymmetric dehydrative cyclizations using this method, yielding both the recovered sulfoximines and benzothiadiazine-1-oxide products with good to high enantioselectivities (with s-factor up to 61). The diverse derivatizations of the chiral products into a wide range of S-stereogenic center-containing S,N-heterocycles have demonstrated the value of this method.

Asymmetric synthesis of highly sterically congested α-tertiary amines via organocatalyzed kinetic resolution.

The asymmetric synthesis of highly sterically congested α-tertiary amines was achieved by an organocatalyzed kinetic resolution (KR) protocol, which were otherwise difficult to access. A variety of substituted N-aryl α-tertiary amines bearing 2-substitued phenyl groups were kinetically resolved through the asymmetric C-H amination reaction, affording good to high KR performances.

Sex difference in biological change and mechanism of Alzheimer's disease: From macro- to micro-landscape.

Alzheimer's disease (AD) is the most common form of dementia and numerous studies reported a higher prevalence and incidence of AD among women. Although women have longer lifetime, longevity does not wholly explain the higher frequency and lifetime risk in women. It is important to understand sex differences in AD pathophysiology and pathogenesis, which could provide foundation for future clinical AD research. Here, we reviewed the most recent and relevant literature on sex differences in biological change of AD from macroscopical neuroimaging to microscopical pathologic change (neuronal degeneration, synaptic dysfunction, amyloid-beta and tau accumulation). We also discussed sex differences in cellular mechanisms related to AD (neuroinflammation, mitochondria dysfunction, oxygen stress, apoptosis, autophagy, blood-brain-barrier dysfunction, gut microbiome alteration, bulk and single cell/nucleus omics) and possible causes underlying these differences including sex-chromosome, sex hormone and hypothalamic-pituitary- adrenal (HPA) axis effects.

Chinese expert consensus on assessment of cognitive impairment in the elderly.

Cognitive impairment is a term that refers to the impairment of one or more cognitive domains to varying degrees caused by a variety of reasons. It is under a high prevalence, many risk factors, complex etiology, and great harm to the elderly population. Early screening, diagnosis, and intervention for cognitive impairment in the elderly are of great importance. However, at present, the recognition rate of cognitive impairment for the elderly in China is low, the rate of missed diagnosis is high, and the evaluation is not standardized. This consensus integrates the commonly used cognitive function assessment scales in China and abroad, and aims to popularize the screening of cognitive impairment, standardize the evaluation methods and procedures of cognitive impairment in the elderly, and establish clinical diagnoses, interventions, and follow-up plans in a timely manner.

Asymmetric Synthesis of Hydroquinazolines Bearing C4-Tetrasubstituted Stereocenters via Kinetic Resolution of α-Tertiary Amines.

A novel protocol for asymmetric synthesis of hydroquinazolines bearing C4-tetrasubstituted stereocenters has been achieved through kinetic resolution of 2-amido α-tertiary benzylamines via chiral phosphoric acid catalyzed intramolecular dehydrative cyclizations. This method gave access to both α-tertiary benzylamines and hydroquinazolines with broad scope and high enantioselectivities. An intriguing restricted rotation of the C-N bond was observed for hydroquinazoline products bearing C4-tetrasubstituted stereocenters.

Associations between the use of ß-adrenoceptor acting drugs and the risk of dementia in older population.

Objective: Age-related decline within the noradrenergic system is associated with reduced cognition. The ß-adrenoceptors are widely expressed in the brain as well as in the peripheral. Medications targeting ß-adrenoceptor activity have been widely used in older adults. The aim of this study was to explore the associations between ß-adrenoceptor acting drugs and the risk of dementia in the older population. Methods: The subjects' information was collected from the electronic medical record (EMR) database. A propensity score matching strategy was conducted to select control participants for users of ß2-agonists or ß-antagonists. Logistic regression analysis was performed to estimate the risk of dementia with the use of ß2-agonists or ß-antagonists. Results: A total of 1,429 participants in the EMR database were included in the study. The use of ß2-agonists was strongly associated with a decreased risk of dementia [OR = 0.324, 95% confidence interval (CI): 0.149-0.707, P = 0.005]. This decreased risk showed a statistically significant inverse time-dependent pattern (P trend = 0.014). However, the use of non-selective ß-antagonists significantly correlated with an increased dementia risk (OR = 1.961, 95% CI: 1.144-3.359, P = 0.014), although no time-dependent manner was found (P trend = 0.220). There was no association between selective ß1-antagonists usage and dementia risk (OR = 1.114, P = 0.625). Conclusion: The use of ß-adrenoceptor acting drugs seems to be associated with the risk of dementia. Pharmacological interventions modulating ß2-adrenoceptor activity might be a potential target in therapeutics for dementia.

Analysis of risk factors of PICC-related bloodstream infection in newborns: implications for nursing care.

BACKGROUND: It is necessary to analyze the characteristics and risk factors of catheter-related bloodstream infection (CRBSI) in newborns with peripherally inserted central catheter (PICC). METHODS: Newborns undergoing PICC catheterization in the neonatal department of our hospital from January 1, 2020 to January 31, 2021 were included. The characteristics of newborns with and without CRBSI newborns were compared and analyzed. Logistic regression analyses were performed to evaluate the risk factors of CRBSI in newborns with PICC. RESULTS: Three hundred eighty-six newborns with PICC were included, of whom 41 newborns had the CRBSI, the incidence of CRBSI in newborns with PICC was 10.62%. There were significant differences regarding the birth weight, durations of PICC stay, 5-min Apgar score, site of PICC insertion of PICC between CRBSI and no CRBSI group (all P < 0.05), and there were no significant differences regarding the gender, gestational age, cesarean section, mechanical ventilation and length of hospital stay between CRBSI and no CRBSI group (all P > 0.05). Escherichia coli (26.08%) and Staphylococcus aureus (23.92%) were the most common CRBSI pathogens in newborns with PICC. Logistic regression analysis indicated that birth weight ≤ 1500 g (OR 1.923, 95% CI 1.135-2.629), durations of PICC stay ≥ 21 days (OR 2.077, 95% CI 1.024-3.431), 5-min Apgar score ≤ 7 (OR 2.198, 95% CI 1.135-3.414) and femoral vein insertion of PICC (OR 3.044, 95% CI 1.989-4.306) were the independent risk factors of CRBSI in neonates with PICC (all P < 0.05). CONCLUSION: For newborns with low birth weight, longer durations of PICC stay and femoral vein PICC insertion, they may have higher risks of CRBSI, and medical staff should take targeted measures to reduce the development of CRBSI.

A Versatile Method for Kinetic Resolution of Protecting-Group-Free BINAMs and NOBINs through Chiral Phosphoric Acid Catalyzed Triazane Formation.

A versatile kinetic resolution of protecting-group-free BINAMs and NOBINs has been realized through chiral phosphoric acid catalyzed triazane formation with azodicarboxylates. A series of mono-N-protected and unprotected BINAMs, diphenyl diamines and NOBIN derivatives could be kinetically resolved with excellent performances (with s factor up to 420). The gram-scale reactions and facile derivatizations of the chiral products demonstrate the potential of these methods in the asymmetric synthesis of chiral catalysts and ligands.

Atroposelective synthesis of configurationally stable nonbiaryl N-C atropisomers through direct asymmetric aminations of 1,3-benzenediamines.

A highly atroposelective synthesis of nonbiaryl N-C atropisomers was achieved via direct aminations of 1,3-benzenediamines with azodicarboxylates enabled by chiral phosphoric acid catalysis. A series of N-substituents, benzene-substituents and azodicarboxylates were well tolerated, generating N-C atropisomers with high configurational stability. The facile derivatizations and utilizations of the chiral products as novel chiral organocatalysts demonstrate the value of these reactions.

[Nitrogen and Phosphorus Removal by Integrated Ecological Engineering Treatment System in a Small Agricultural Watershed].

Based on the discharge characteristics of agricultural non-point source pollution in the headstream region of the Kaihui River-a typical small agricultural watershed, an integrated ecological engineering treatment system (IEETS) was constructed with ecological wetland as the core unit to control the pollution. The nitrogen (N) and phosphorus (P) removal performances of the IEETS were discussed in this study. The results showed that the dominant source of N and P in the study area was livestock and poultry breeding, which was urgent to control. The monitoring results indicated that the ecological wetland treatment project resulted in average total nitrogen (TN) and total phosphorus (TP) removal rates of 87.1% and 90.9%, respectively, when treating mixed decentralized domestic and swine wastewater treatment. The multi-stage constructed wetlands had an average of 85.7% of TN and 84.9% of TP removal for mixed farmland drainage and decentralized swine wastewater. The removal rates for landscape-based ecological wetland were within the range of 27.1%-67.4% for TN and 13.3%-81.5% for TP in the catchment terminal water. The total interception amount of TN and TP by the IEETS was 5292 kg·a-1 and 1054 kg·a-1, accounting for 35.3% and 43.6% of total pollution loads in the headstream region, respectively. These findings illustrated that the IEETS presents promising treatment results on non-point source pollution, and is suitable for widespread applications to wastewater treatment in small watersheds of southern China.

Evaluating organics removal performance from lagoon-pretreated swine wastewater in pilot-scale three-stage surface flow constructed wetlands.

Pilot-scale three-stage surface flow constructed wetlands (SFCWs) planted with Myriophyllum aquaticum were constructed to study the organics removal performance from lagoon-pretreated swine wastewater. The removal performance of organics in the SFCWs was evaluated using deterministic and probabilistic methods and the results were consistent. The SFCWs achieved a relatively high removal efficiency (79.0-82.7%) for a wide influent COD concentration range (456-1010 mg L-1). No significant difference (p > 0.05) of COD removal efficiency and first-order removal rate constant among the various strengths of influent suggested that the present loading rates (2.74-6.06 g m-2 d-1) have not yet reached the maximum removal capacity of the SFCWs. The mean emission fluxes of methane from the SFCW units fed with different strengths of wastewater were 25-1210 mg m-2 d-1. A significantly positive correlation (p < 0.01) between methane emission fluxes and COD loading rates indicated that the anaerobic digestion of organics was an important process for organics removal in the SFCWs. No significant organics accumulation in the sediment over time suggested that plant harvest could be in favor of reducing the organics accumulation in the substrate and should be considered important during management of constructed wetlands.

Nitrogen removal and recovery from lagoon-pretreated swine wastewater by constructed wetlands under sustainable plant harvesting management.

A series of three-stage pilot-scale surface flow constructed wetlands (CWs) planted with Myriophyllum aquaticum were fed with three strengths of lagoon-pretreated swine wastewater to study nitrogen (N) removal and recovery under sustainable plant harvesting management. The CWs had mean removal efficiency of 87.7-97.9% for NH4+-N and 85.4-96.1% for total N (TN). The recovered TN mass via multiple harvests of M. aquaticum was greatest (120-222 g N m-2 yr-1) when TN concentrations were 21.8-282 mg L-1. The harvested TN mass accounted for 0.85-100% of the total removal in the different CW units. Based on mass balance estimation, plant uptake, sediment storage, and microbial removal accounted for 13.0-55.0%, 4.9-8.0%, and 33.0-67.5% of TN loading mass, respectively. The results of this study confirm that M. aquaticum is appropriate for the removal and recovery of nutrients in CW systems designed for treating swine wastewater in conjunction with sustainable plant harvesting strategies.

Palladium-Catalyzed Site-Selective sp3 C-H Bond Thiocyanation of 2-Aminofurans.

Alkyl thiocyanates are prevalent in natural products, drugs, and biologically active compounds. We report here a novel, mild, and efficient Pd-catalyzed site-selective sp3 C-H bond thiocyanation of 2-aminofurans. Using Na2S2O8 as the oxidant and readily available NaSCN as the thiocyanation reagent, the kinetically favorable 2-amino-4-thiocyanatomethylfurans are selectively synthesized in promising yields with a broad substrate scope. This reaction represents the first example of transition-metal-catalyzed site-selective sp3 C-H bond thiocyanation, thus offering a novel strategy for the step- and atom-economic synthesis of alkyl thiocyanates.

Prevalence and clinical features of non-motor symptoms of essential tremor in Shanghai rural area.

OBJECTIVE: Few studies regarding the epidemiology of essential tremor (ET) and its non-motor symptoms (NMS) have been conducted to date. We thus conducted a door-to-door survey to investigate the ET and its NMS and their clinical manifestations in a rural area of Shanghai, China. METHODS: We recruited 19,614 residents (≥ 50 years old), living in Malu town, Shanghai. Investigations were divided into two steps. In first step, trained physicians conducted door-to-door surveys and reported probable ET subjects to movement disorder specialists. In the second step, participants with suspected ET had their diagnosis confirmed by movement disorder specialists. We randomly selected 123 subjects from those adults who screened negative for neurological conditions as healthy controls for the study of NMS. RESULTS: The prevalence of ET in individuals (≥ 50 years old) was 0.306% (PR = 3.06 per 1000). The mini-mental state examination (MMSE) scores were lower in ET patients than in controls (25.81 ± 4.20 vs. 26.63 ± 3.14, P= 0.024). Complaints of restless legs reported by ET patients were significantly higher than those in controls (P < 0.05). In contrast, we did not observe a significant difference for other NMS between ET patients and controls, including olfactory function (P = 0.82), depression (P = 0.94), and rapid eye movement sleep behavior disorder (RBD) (P = 0.71). CONCLUSIONS: The prevalence of ET in people ≥ 50 years old in a rural area of Shanghai China is low. Prevalence of certain NMSs was higher among participants with ET relative to health controls.

Plasma epidermal growth factor decreased in the early stage of Parkinson's disease.

Epidermal growth factor (EGF) is a neurotrophic factor that plays an important role in Parkinson's disease (PD). We measured plasma EGF level in PD, essential tremor (ET) and normal controls to investigate whether it changes in PD and whether it is associated with motor and non-motor symptoms of PD. 100 patients with PD, 40 patients with ET as disease control and 76 healthy persons were enrolled in the present study. Motor and non-motor symptoms were assessed by different scales. Plasma EGF levels of three groups were measured by enzyme-linked immunosorbent assay kit. Spearman test and linear logistics regression model were used to test the correlation of EGF with motor and non-motor symptoms of PD. Plasma EGF level was significantly decreased in early PD patients compared with normal control, but not in advanced PD patients. Interestingly, plasma EGF level was significantly increased in advanced PD and total PD patients compared with ET patients, but not in early PD patients. In addition, plasma EGF level was correlated with UPDRS-III scores in PD. Also plasma EGF level was correlated with UPDRS-III scores and NMS scores in early PD. Our results suggested that plasma EGF decreased in the early stage of PD and increased later on in the PD disease course. Also, plasma EGF level was increased significantly in PD compared with ET patients and correlated with motor and non-motor symptoms in early PD.

Plasma insulin-like growth factor 1 is associated with cognitive impairment in Parkinson's disease.

OBJECTIVE: The aim of this study was to test plasma insulin-like growth factor 1 (IGF-1) change in Parkinson's disease (PD) and essential tremor (ET), and assess the association of plasma IGF-1 level with motor and nonmotor symptoms in PD and ET. METHODS: Plasma IGF-1 was measured in 100 PD patients, 40 ET patients, and 76 healthy controls. Motor and nonmotor symptoms were assessed by different scales. Spearman correlation test and linear logistic model were used to analyze the correlation of plasma IGF-1 with motor and nonmotor symptoms of PD and ET. RESULTS: The plasma IGF-1 level was significantly increased in PD compared to healthy controls and ET patients. In addition, low plasma IGF-1 was correlated with low Mini-Mental State Examination (MMSE) scores in PD patients. However, no correlation was found between plasma IGF-1 and MMSE scores in ET patients. CONCLUSION: Plasma IGF-1 increased significantly in PD but remained unchanged in ET. A low plasma IGF-1 level was associated with poor cognitive performance in PD but not in ET patients.