Publications by authors named "Liqiu Yang"

The efficient separation of C₂H₂/CO₂ mixture is crucial for industrial applications.  A promising strategy is proposed herein to fine-tune the C₂H₂/CO adsorption and separation by pillar-layered metal-organic framework (MOF) adsorbents via molecular rotation. Keeping the same ultramicroporous architecture, three Zn-X-TRZ (TRZ = 1,2,4-triazole) adsorbents are prepared with X-pillar rotors varying from 9,10-anthracenedicarboxylic acid (ADC), 1,4-naphthalenedicarboxylic acid (NDC) to 1,4-benzenedicarboxylic acid (BDC).

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Rationale: Zolpidem, a non-benzodiazepine sedative-hypnotic, is considered safer for the treatment of insomnia compared to benzodiazepines. However, in recent years, there have been growing reports of Zolpidem dependence, addiction, and withdrawal symptoms. We reported a case of Zolpidem addiction and successful detoxification, reviewed similar cases in the literature, and proposed a potential mechanism underlying Zolpidem addiction.

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Surface transfer doping is proposed to be a potential solution for doping diamond, which is hard to dope for applications in high-power electronics. While MoO is found to be an effective surface electron acceptor for hydrogen-terminated diamond with a negative electron affinity, the effects of commonly existing oxygen vacancies remain elusive. We have performed reactive molecular dynamics simulations to study the deposition of MoO on a hydrogenated diamond (111) surface and used first-principles calculations based on density functional theory to investigate the electronic structures and charge transfer mechanisms.

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Background: Severe pneumonia continues to be a prominent cause of hospitalization and global mortality. There is ongoing debate regarding the effectiveness of different oxygen therapy modalities, particularly high-flow nasal cannula (HFNC) oxygen therapy and invasive mechanical ventilation (IMV), in the treatment of severe pneumonia.

Objective: This study investigated the risk factors associated with mechanical ventilation in pediatric patients with severe pneumonia.

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Article Synopsis
  • Understanding the oxidation mechanisms of transition-metal dichalcogenides (TMDCs) is crucial for managing oxide formation and creating various oxide products.
  • Reactive molecular dynamics simulations reveal that the oxygen partial pressure influences both the rate and morphology of ZrS oxidation.
  • A shift from layer-by-layer oxidation to a continuous oxidation process occurs, depending on the pressure, highlighting different oxidation stages and mechanisms involved.
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Nonadiabatic quantum molecular dynamics is used to investigate the evolution of GeTe photoexcited states. Results reveal a photoexcitation-induced picosecond nonthermal path for the loss of long-range order. A valence electron excitation threshold of 4% is found to trigger local disorder by switching Ge atoms from octahedral to tetrahedral sites and promoting Ge-Ge bonding.

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Background: Menstrual migraine is a particular form of migraine with a significant impact on the quality of life for women afflicted. Presently, no study has reported the quality of life in menstrual migraine patients. This work aims to assess the health-related quality of life and identify its associated factors among Chinese menstrual migraine patients.

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Despite the growing success of machine learning for predicting structure-property relationships in molecules and materials, such as predicting the dielectric properties of polymers, it is still in its infancy. We report on the effectiveness of solving structure-property relationships for a computer-generated database of dielectric polymers using recurrent neural network (RNN) models. The implementation of a series of optimization strategies was crucial to achieving high learning speeds and sufficient accuracy: (1) binary and nonbinary representations of SMILES (Simplified Molecular Input Line System) fingerprints and (2) backpropagation with affine transformation of the input sequence (ATransformedBP) and resilient backpropagation with initial weight update parameter optimizations (iRPROP optimized).

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A thorough understanding of native oxides is essential for designing semiconductor devices. Here, we report a study of the rate and mechanisms of spontaneous oxidation of bulk single crystals of ZrSSe alloys and MoS. ZrSSe alloys oxidize rapidly, and the oxidation rate increases with Se content.

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The deoxygenation of palmitic and lauric acids over 0.5 wt % Pt/ZIF-67 membrane/zeolite 5A bead catalysts is demonstrated. Almost complete conversion (% deoxygenation of ≥95%) of these two fatty acids was observed over both fresh and recycled catalyst after a 2 h reaction time.

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Background: Women's parity has been associated with risk of cardiovascular disease (CVD). It is unclear, however, whether it reflects biological effects of childbearing or uncontrolled socio-economic and lifestyle factors associated with childrearing. We assessed the association between number of children and incident CVD outcomes separately in women and men.

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Background: Despite the great burden of chronic respiratory diseases in China, few large multicentre, spirometry-based studies have examined its prevalence, rate of underdiagnosis regionally or the relevance of socioeconomic and lifestyle factors.

Methods: We analysed data from 512 891 adults in the China Kadoorie Biobank, recruited from 10 diverse regions of China during 2004-2008. Air flow obstruction (AFO) was defined by the lower limit of normal criteria based on spirometry-measured lung function.

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Objectives: Mean blood pressure varies moderately with outdoor air temperature in many western populations. Substantial uncertainty exists, however, about the strength of the relationship in other populations and its relevance to age, adiposity, medical treatment, climate and housing conditions.

Methods: To investigate the relationship of blood pressure with season and outdoor temperature, we analysed cross-sectional data from the China Kadoorie Biobank study of 506,673 adults aged 30-79 years recruited from 10 diverse urban and rural regions in China.

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