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1.
Front Immunol ; 15: 1389993, 2024.
Article in English | MEDLINE | ID: mdl-38665917

ABSTRACT

Kikuchi-Fujimoto disease (KFD) is a benign, self-limiting illness that can progress to systemic lupus erythematosus (SLE) in approximately 30% of cases. Neurological injuries can occur in both diseases, albeit with distinct presentations. Venous sinus thrombosis is a serious cerebrovascular complication in patients with neuropsychiatric SLE but is rarely observed in patients with KFD. The involvement of various antibodies, particularly antiphospholipid antibodies, can cause vascular endothelial cell injury, resulting in focal cerebral ischemia and intracranial vascular embolism in SLE. However, there are cases in which thrombotic pathology occurs without antiphospholipid antibody positivity, attributed to vascular lesions. In this report, we present a case of KFD and lupus encephalopathy featuring cerebral venous sinus thrombosis, despite the patient being negative for antiphospholipid antibody. We also conducted a comparative analysis of C3 and C4 levels in cerebrospinal fluid (CSF) and peripheral blood, along with the protein ratio in CSF and serum, to elucidate the pathological changes and characteristics of lupus encephalopathy.


Subject(s)
Histiocytic Necrotizing Lymphadenitis , Lupus Erythematosus, Systemic , Sinus Thrombosis, Intracranial , Humans , Histiocytic Necrotizing Lymphadenitis/diagnosis , Histiocytic Necrotizing Lymphadenitis/complications , Histiocytic Necrotizing Lymphadenitis/pathology , Sinus Thrombosis, Intracranial/etiology , Sinus Thrombosis, Intracranial/diagnosis , Lupus Erythematosus, Systemic/complications , Lupus Erythematosus, Systemic/diagnosis , Female , Adult
2.
Opt Express ; 32(7): 12926-12940, 2024 Mar 25.
Article in English | MEDLINE | ID: mdl-38571100

ABSTRACT

With the increasing demand for privacy, multispectral camouflage devices that utilize metasurface designs in combination with mature detection technologies have become effective. However, these early designs face challenges in realizing multispectral camouflage with a single metasurface and restricted modes. Therefore, this paper proposes a dynamically tunable metasurface. The metasurface consists of gold (Au), antimony selenide (Sb2Se3), and aluminum (Al), which enables radiative cooling, light detection and ranging (LiDAR) and infrared camouflage. In the amorphous phase of Sb2Se3, the thermal radiation reduction rate in the mid wave infrared range (MWIR) is up to 98.2%. The echo signal reduction rate for the 1064 nm LiDAR can reach 96.3%. In the crystalline phase of Sb2Se3, the highest cooling power is 65.5 Wm-2. Hence the metasurface can reduce the surface temperature and achieve efficient infrared camouflage. This metasurface design provides a new strategy for making devices compatible with multispectral camouflage and radiative cooling.

3.
Sensors (Basel) ; 24(1)2024 Jan 03.
Article in English | MEDLINE | ID: mdl-38203156

ABSTRACT

Traditional night light images are black and white with a low resolution, which has largely limited their applications in areas such as high-accuracy urban electricity consumption estimation. For this reason, this study proposes a fusion algorithm based on a dual-transformation (wavelet transform and IHS (Intensity Hue Saturation) color space transform), is proposed to generate color night light remote sensing images (color-NLRSIs). In the dual-transformation, the red and green bands of Landsat multi-spectral images and "NPP-VIIRS-like" night light remote sensing images are merged. The three bands of the multi-band image are converted into independent components by the IHS modulated wavelet transformed algorithm, which represents the main effective information of the original image. With the color space transformation of the original image to the IHS color space, the components I, H, and S of Landsat multi-spectral images are obtained, and the histogram is optimally matched, and then it is combined with a two-dimensional discrete wavelet transform. Finally, it is inverted into RGB (red, green, and blue) color images. The experimental results demonstrate the following: (1) Compared with the traditional single-fusion algorithm, the dual-transformation has the best comprehensive performance effect on the spatial resolution, detail contrast, and color information before and after fusion, so the fusion image quality is the best; (2) The fused color-NLRSIs can visualize the information of the features covered by lights at night, and the resolution of the image has been improved from 500 m to 40 m, which can more accurately analyze the light of small-scale area and the ground features covered; (3) The fused color-NLRSIs are improved in terms of their MEAN (mean value), STD (standard deviation), EN (entropy), and AG (average gradient) so that the images have better advantages in terms of detail texture, spectral characteristics, and clarity of the images. In summary, the dual-transformation algorithm has the best overall performance and the highest quality of fused color-NLRSIs.

4.
IEEE Trans Pattern Anal Mach Intell ; 46(5): 3108-3122, 2024 May.
Article in English | MEDLINE | ID: mdl-38019626

ABSTRACT

This paper presents a novel technique for the dense reconstruction of light fields (LFs) from sparse input views. Our approach leverages the Epipolar Focus Spectrum (EFS) representation, which models the LF in the transformed spatial-focus domain, avoiding the dependence on the scene depth and providing a high-quality basis for dense LF reconstruction. Previous EFS-based LF reconstruction methods learn the cross-view, occlusion, depth and shearing terms simultaneously, which makes the training difficult due to stability and convergence problems and further results in limited reconstruction performance for challenging scenarios. To address this issue, we conduct a theoretical study on the transformation between the EFSs derived from one LF with sparse and dense angular samplings, and propose that a dense EFS can be decomposed into a linear combination of the EFS of the sparse input, the sheared EFS, and a high-order occlusion term explicitly. The devised learning-based framework with the input of the under-sampled EFS and its sheared version provides high-quality reconstruction results, especially in large disparity areas. Comprehensive experimental evaluations show that our approach outperforms state-of-the-art methods, especially achieves at most dB advantages in reconstructing scenes containing thin structures.

5.
Heliyon ; 9(12): e22087, 2023 Dec.
Article in English | MEDLINE | ID: mdl-38076116

ABSTRACT

Objectives: Cholangiocarcinoma (CHOL) is a malignant tumor from extrahepatic bile duct with poor prognosis. The critical roles of long non-coding RNAs (lncRNAs) in cancers including CHOL have been unveiled in recent decades. The present study was aimed to investigate the role and mechanism of a certain lncRNA, namely, hepatocellular carcinoma (HCC) associated long non-coding RNA (HANR) in CHOL. Methods: Reverse transcription quantitative polymerase chain reaction (RT-qPCR) was applied for detecting gene expression. Functional assays were done for assessing CHOL cell malignancy and mechanistic assays were conducted for analyzing correlation between HANR and Notch signal pathway, as well as the relation between HANR and Notch intracellular domain (NICD) in CHOL cells. Results: HANR was detected to be significantly overexpressed in CHOL cell lines. HANR silence inhibited cell proliferation, migration and stemness. Besides, HANR could positively regulate the Notch signaling pathway through modulating RBP-JK. HANR could bind to NICD and affect the transcriptional activity of RBP-JK. Furthermore, p-Notch1-NICD-r could wholly countervail the inhibitory effects of HANR silence on CHOL cell proliferation, migration and stemness. Conclusion: HANR could activate Notch pathway by regulating the RBP-JK transcriptional activity, thus contributing to exacerbated malignant behaviors of CHOL cells.

6.
ACS Nano ; 17(17): 16682-16694, 2023 Sep 12.
Article in English | MEDLINE | ID: mdl-37581747

ABSTRACT

Strain engineering is an attractive approach for tuning the local optoelectronic properties of transition metal dichalcogenides (TMDs). While strain has been shown to affect the nanosecond carrier recombination dynamics of TMDs, its influence on the sub-picosecond electronic relaxation dynamics is still unexplored. Here, we employ a combination of time-resolved photoemission electron microscopy (TR-PEEM) and nonadiabatic ab initio molecular dynamics (NAMD) to investigate the ultrafast dynamics of wrinkled multilayer (ML) MoS2 comprising 17 layers. Following 2.41 eV photoexcitation, electronic relaxation at the Γ valley occurs with a time constant of 97 ± 2 fs for wrinkled ML-MoS2 and 120 ± 2 fs for flat ML-MoS2. NAMD shows that wrinkling permits larger amplitude motions of MoS2 layers, relaxes electron-phonon coupling selection rules, perturbs chemical bonding, and increases the electronic density of states. As a result, the nonadiabatic coupling grows and electronic relaxation becomes faster compared to flat ML-MoS2. Our study suggests that the sub-picosecond electronic relaxation dynamics of TMDs is amenable to strain engineering and that applications which require long-lived hot carriers, such as hot-electron-driven light harvesting and photocatalysis, should employ wrinkle-free TMDs.

7.
J Chem Theory Comput ; 19(11): 3209-3222, 2023 Jun 13.
Article in English | MEDLINE | ID: mdl-37163680

ABSTRACT

Extended Lagrangian Born-Oppenheimer molecular dynamics (XL-BOMD) in its most recent shadow potential energy version has been implemented in the semiempirical PyTorch-based software PySeQM. The implementation includes finite electronic temperatures, canonical density matrix perturbation theory, and an adaptive Krylov subspace approximation for the integration of the electronic equations of motion within the XL-BOMB approach (KSA-XL-BOMD). The PyTorch implementation leverages the use of GPU and machine learning hardware accelerators for the simulations. The new XL-BOMD formulation allows studying more challenging chemical systems with charge instabilities and low electronic energy gaps. The current public release of PySeQM continues our development of modular architecture for large-scale simulations employing semi-empirical quantum-mechanical treatment. Applied to molecular dynamics, simulation of 840 carbon atoms, one integration time step executes in 4 s on a single Nvidia RTX A6000 GPU.

8.
Opt Express ; 31(9): 14726-14734, 2023 Apr 24.
Article in English | MEDLINE | ID: mdl-37157331

ABSTRACT

We generate a macro-pulsed chaotic laser based on pulse-modulated laser diode subject to free space optical feedback, and demonstrate the performance of suppressing backscattering interference and jamming in turbid water. The macro-pulsed chaotic laser with a wavelength of 520 nm as a transmitter is used with a correlation-based lidar receiver to perform an underwater ranging. At the same power consumption, macro-pulsed lasers have higher peak power than in the continuous-wave form, enabling the former to detect longer ranging. The experimental results show that a chaotic macro-pulsed laser has excellent performance of suppressing the backscattering of water column and anti-noise interference compared with traditional pulse laser, especially by multiple accumulations about 10∼30 times, and target position can still be determined when SNR is -20 dB.

9.
Dis Markers ; 2023: 5318012, 2023.
Article in English | MEDLINE | ID: mdl-37091896

ABSTRACT

Methods: In this study, 326 hospitalized patients with acute anterior circulation ischemic stroke (AACIS) were included. A comparison of the clinical characteristics of those with and without AF was conducted. The Spearman rank correlation was used for the correlation analysis of plasma NT-proBNP level, regional leptomeningeal collateral (rLMC) score, and computed tomography perfusion (CTP) status in the AF and non-AF groups. An analysis of multivariate linear regression was used to determine how plasma NT-proBNP level, rLMC score, and CTP status influenced the score on the NIHSS. Results: There was a greater plasma NT-proBNP level in the AF group compared with the non-AF group, an increased CTP volume (including CTP ischemic volume, CTP infarct core volume, and CTP ischemic penumbra volume (P = 0.002)), higher NIHSS score on admission, and lower rLMC score (P < 0.001 for the remaining parameters). A negative correlation exists between plasma NT-proBNP level and rLMC score (r = -0.156, P = 0.022), but a positive correlation exists between plasma NT-proBNP level and both CTP ischemic volume and CTP infarct core volume (r = 0.148, P = 0.003) in the AF group, but not in the non-AF group. Multivariate linear regression analysis demonstrated that NT-proBNP, CTP ischemic penumbra volume, and rLMC score were associated with NIHSS score, and NT-proBNP was positively associated with NIHSS scores (95% confidence interval (CI), 0.000-0.002; P = 0.004) in the AF group, whatever in the unadjusted model or adjusted models, but not in the nonlarge artery atherosclerosis (LAA) group. Conclusion: In AACIS patients with AF, NT-proBNP level negatively correlated with collateral status, positively with CTP ischemic volume, and positively with NIHSS score.


Subject(s)
Ischemic Stroke , Stroke , Humans , Stroke/diagnostic imaging , Ischemic Stroke/complications , Collateral Circulation , Infarction/complications
10.
Sci Total Environ ; 859(Pt 2): 160341, 2023 Feb 10.
Article in English | MEDLINE | ID: mdl-36414067

ABSTRACT

Viruses are the most abundant microorganisms on the earth, their existence in contaminated waters possesses a significant threat to humans. Waterborne viral infections could be fatal to sensitive population including young child, the elderly, and the immune-compromised. It is imperative to remove viruses during water treatment to better protect public health, especially in the light of evidence of detection of coronaviruses genetic fragments in raw sewage. We reported bench-scale experiments evaluating the extent and mechanisms of removal of a model virus (spring viremia of carp virus, SVCV) in water by adsorption. Microspheres made by boronic acid-modified bacterial cellulose with excellent mechanical strength were successfully fabricated as packing materials for the column to remove glycoproteins and enveloped viruses from water. The synthesized adsorbent was characterized by attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, Atomic Force Microscopy (AFM), Scanning Electron Microscopy (SEM), and Brunauer Emmett Teller (BET) measurement. The adsorption efficiency of glycoproteins was investigated by SDS-PAGE and the Broadford protein assay, while the binding capacity with the virus (spring viremia of carp virus) was monitored by cell culture to calculate the viral cytopathic effect and viral titer caused by the virus. The data obtained from the above experiments showed that ∼3-log removal of SVCV in 3 h, which significantly reduced the virus concentration from microspheres packed column. The present study provides substantial evidence to prove beyond doubt that material based on bacterial cellulose seems to have the potential for virus removal from water which can be extended to systems of significant importance.


Subject(s)
Carps , Water Pollutants, Chemical , Water Purification , Animals , Child , Humans , Aged , Boronic Acids , Cellulose/chemistry , Adsorption , Microspheres , Spectroscopy, Fourier Transform Infrared , Kinetics , Water Pollutants, Chemical/analysis
11.
IEEE Trans Vis Comput Graph ; 29(12): 5194-5207, 2023 Dec.
Article in English | MEDLINE | ID: mdl-36099223

ABSTRACT

The paper presents a 3D reconstruction algorithm from an undersampled circular light field (LF). With an ultra-dense angular sampling rate, every scene point captured by a circular LF corresponds to a smooth trajectory in the circular epipolar plane volume (CEPV). Thus per-pixel disparities can be calculated by retrieving the local gradients of the CEPV-trajectories. However, the continuous curve will be broken up into discrete segments in an undersampled circular LF, which leads to a noticeable deterioration of the 3D reconstruction accuracy. We observe that the coherent structure is still embedded in the discrete segments. With less noise and ambiguity, the scene points can be reconstructed using gradients from reliable epipolar plane image (EPI) regions. By analyzing the geometric characteristics of the coherent structure in the CEPV, both the trajectory itself and its gradients could be modeled as 3D predictable series. Thus a mask-guided CNN+LSTM network is proposed to learn the mapping from the CEPV with a lower angular sampling rate to the gradients under a higher angular sampling rate. To segment the reliable regions, the reliable-mask-based loss that assesses the difference between learned gradients and ground truth gradients is added to the loss function. We construct a synthetic circular LF dataset with ground truth for depth and foreground/background segmentation to train the network. Moreover, a real-scene circular LF dataset is collected for performance evaluation. Experimental results on both public and self-constructed datasets demonstrate the superiority of the proposed method over existing state-of-the-art methods.

12.
Huan Jing Ke Xue ; 43(11): 5253-5262, 2022 Nov 08.
Article in Chinese | MEDLINE | ID: mdl-36437097

ABSTRACT

Regional land use change is the main cause of carbon storage changes in ecosystems. Predicting the impact of future land use changes on carbon storage is of great significance for the sustainable development of carbon storage functions. In recent years, under the combined action of natural and human factors, the land use in the source region of the Yellow River has changed significantly, and its carbon storage function has also changed accordingly. This study combined InVEST and GeoSoS-FLUS models to evaluate land use change and its impact on carbon storage in the source region of the Yellow River from 2000 to 2020 and from 2020 to 2040 under different scenarios. The results showed that:① from 2000 to 2020, the carbon storage in the source region of the Yellow River showed an overall upward trend, with a total increase of 11.59×106 t. ② Over the past 20 years, the land use changes in the source region of the Yellow River included mainly the increase in the area of low-coverage grassland, construction land, and wetland and the decrease in the area of high-coverage grassland, medium-coverage grassland, and unused land, as well as the large-scale reduction of unused land and the reduction of grassland. The increase in the area of wetlands was the main reason for the increase in carbon storage. ③ Under the natural change scenario in 2040, the ecosystem carbon storage in the source region of the Yellow River was 871.34×106 t, an increase of 3.92×106 t compared with that in 2020. Under the ecological protection scenario, carbon storage increased significantly, with an increase of 13.53×106 t compared with that in 2020. The results of this study can provide a scientific reference for the decision-making of land use management and the sustainable development of carbon storage function in the source region of the Yellow River.


Subject(s)
Ecosystem , Rivers , Humans , Carbon , Wetlands
13.
Biomed Res Int ; 2022: 1729255, 2022.
Article in English | MEDLINE | ID: mdl-36177058

ABSTRACT

The distal middle cerebral artery occlusion (dMCAO) model that mainly targets the cortex and causes low mortality is developed for the study of permanent focal ischemia, and it is highly appropriate for the study in the aged population. The two most common methods used to establish dMCAO models are dMCAO alone and dMCAO plus ipsilateral common carotid artery occlusion (CCAO). Up to now, studies on the prognosis of the two types of dMCAO models and the accuracy of cerebral blood flow (CBF) in predicting prognosis have not yet been reported. In the present study, we established permanent focal ischemia models in two groups of aged mice by dMCAO alone or by dMCAO plus ipsilateral common carotid artery occlusion (CCAO). CBF was evaluated by laser speckle flowmetry (LSF) before and after surgery. Cerebral infarction was assessed by TTC staining at day 2 after surgery and MAP2 staining at day 21 after surgery. In addition, behavioral outcomes were evaluated using the modified Garcia scoring system, adhesive removal test, and foot-fault test. Our results showed that compared with those in the dMCAO alone group, the mice in the dMCAO plus CCAO group had a larger cerebral infarct size and more severe neurological deficits. According to the results of the correlation analysis, the area of the ischemic core region on CBF imaging in the dMCAO group was helpful in predicting the infarct volume. In addition, the total CBF of the ischemic area in the dMCAO plus CCAO group showed a significant correlation with Garcia scores 3 days after surgery, but there was no significant correlation of CBF imaging with the foot-fault test 7 days after surgery. These results suggest that the total CBF of the ischemic area might be helpful to predict the severity of neurological damage at the acute stage.


Subject(s)
Arterial Occlusive Diseases , Brain Ischemia , Carotid Artery Diseases , Animals , Brain Ischemia/diagnostic imaging , Cerebrovascular Circulation/physiology , Disease Models, Animal , Infarction, Middle Cerebral Artery , Lasers , Mice , Mice, Inbred C57BL , Prognosis , Rheology
14.
Article in English | MEDLINE | ID: mdl-35966742

ABSTRACT

Objective: To assess the effectiveness of laparoscopic cholecystectomy in patients with gallbladder stones and chronic cholecystitis. Methods: From July 2018 to January 2020, 90 patients with gallbladder stones and chronic cholecystitis assessed for eligibility were recruited and concurrently assigned (1 : 1) to receive either small-incision cholecystectomy (observation group) or laparoscopic cholecystectomy (experimental group). Outcome measures included operation time, intraoperative bleeding volume, postoperative hospital stay, c-reactive protein (CRP), interleukin (IL)-6, tumor necrosis factor-α (TNF-α), gastrin (GAS), vasoactive intestinal peptide (VIP), motilin (MOT), and adverse events. Results: Patients given laparoscopic cholecystectomy showed lower levels of operation-related indices versus those receiving small-incision cholecystectomy (P < 0.05). Laparoscopic cholecystectomy resulted in lower postoperative levels of CRP, IL-6, and TNF-α in the patients versus small-incision cholecystectomy (P < 0.05). Patients receiving laparoscopic cholecystectomy showed better GAS, VIP, and MOT levels than those receiving small-incision cholecystectomy (P < 0.05). The eligible patients after laparoscopic cholecystectomy had a significantly lower incidence of adverse events versus those after small-incision cholecystectomy (P < 0.05). Conclusion: Laparoscopic cholecystectomy effectively shortens the operative time and length of hospital stay in patients with gallbladder stones and chronic cholecystitis, reduces intraoperative bleeding, attenuates the inflammatory response, and enhances the gastrointestinal function, with less surgical trauma and high safety. Clinical trials are, however, required prior to promotion.

15.
J Fish Dis ; 45(11): 1757-1765, 2022 Nov.
Article in English | MEDLINE | ID: mdl-35944110

ABSTRACT

The disease caused by Micropterus salmoides rhabdovirus (MSRV) has brought substantial economic losses to the largemouth bass aquaculture industry in China. Vaccination was considered as a potential way to prevent and control this disease. As a kind of sustained and controlled release system, alginate and chitosan microspheres (SA-CS) are widely used in the development of oral vaccination for fish. Here, we prepared a king of alginate-chitosan composite microsphere to encapsulate the second segment of MSRV glycoprotein (G2 protein) and then evaluated the immune effect of the microsphere vaccine on largemouth bass. Largemouth bass were vaccinated via intragastric immunization by different treatments (PBS, SA-CS, G2 and SA-CS-G2). The results showed that a stronger immune response including serum antibody levels, immune-related physiological indexes (acid phosphatase, alkaline phosphatase, superoxide dismutase and total antioxidant capacity) and the expression of immune-related gene (IgM、IL-8、IL-1ß、CD4、TGF-ß、TNF-α) can be induced obviously with SA-CS-G2 groups compared with G2 groups when fish were vaccinated. Furthermore, fish were injected with a lethal dose of MSRV after immunization for 28 days, and the highest relative percentage survival (54.8%) was observed in SA-CS-G2 group (40 µg per fish), which is significantly higher than that of G2 group (25.8%). This study showed that alginate-chitosan microspheres as the vaccine carrier can effectively improve the immune effect of oral vaccination and induce better immune protection effect against MSRV infection.


Subject(s)
Bass , Chitosan , Fish Diseases , Rhabdoviridae , Acid Phosphatase , Alginates , Alkaline Phosphatase , Animals , Antioxidants , Delayed-Action Preparations , Immunoglobulin M , Interleukin-8 , Microspheres , Superoxide Dismutase , Transforming Growth Factor beta , Tumor Necrosis Factor-alpha , Vaccines, Subunit , Vaccines, Synthetic
16.
Virus Res ; 320: 198896, 2022 Oct 15.
Article in English | MEDLINE | ID: mdl-35977626

ABSTRACT

Spring viremia of carp virus (SVCV) usually be considered as one of the serious in viral diseases of aquaculture, and DNA vaccine with novel delivery mechanism or adjuvant has proven to be a promising and effective strategy to control aquatic animal diseases. In this study, the mannose-modified chitosan, a carrier system for vaccine delivery, were used to developed a chitosan-encapsulated DNA vaccine (CS-M-G) against SVCV, then investigated immune response induced by the vaccine. Our results showed that CS-M-G was confirmed the spherical or elliptical with even distribution and ranging from approximately 50 to 150 nm in size, the expression of the antigen gene could still be detected after 21 d post vaccination. The CS-M-G induces the highest antibody levels in the 20 µg dose group which is about 3 times than naked plasmid group at 21 d post vaccination, and still hold a higher level than control group at 28 d post vaccination. On the side, strongest protection with relative percent survival of 62.1% in the 20 µg CS-M-G group, which could produce significantly higher enzyme activities and up-regulated expression of immune-associated genes than control group. Thus, our results indicate that DNA vaccine loaded with mannose-modified chitosan induces strong immune response and provided an effective protection against SVCV infection, may be helpful and extended for developing more aquatic animal vaccines in the future.


Subject(s)
Carps , Chitosan , Fish Diseases , Vaccines, DNA , Viral Vaccines , Animals , Mannose , Rhabdoviridae , Viremia/prevention & control
17.
Proc Natl Acad Sci U S A ; 119(27): e2120333119, 2022 Jul 05.
Article in English | MEDLINE | ID: mdl-35776544

ABSTRACT

Conventional machine-learning (ML) models in computational chemistry learn to directly predict molecular properties using quantum chemistry only for reference data. While these heuristic ML methods show quantum-level accuracy with speeds several orders of magnitude faster than traditional quantum chemistry methods, they suffer from poor extensibility and transferability; i.e., their accuracy degrades on large or new chemical systems. Incorporating quantum chemistry frameworks into the ML models directly solves this problem. Here we take the structure of semiempirical quantum mechanics (SEQM) methods to construct dynamically responsive Hamiltonians. SEQM methods use empirical parameters fitted to experimental properties to construct reduced-order Hamiltonians, facilitating much faster calculations than ab initio methods but with compromised accuracy. By replacing these static parameters with machine-learned dynamic values inferred from the local environment, we greatly improve the accuracy of the SEQM methods. Trained on molecular energies and atomic forces, these dynamically generated Hamiltonian parameters show a strong correlation with atomic hybridization and bonding. Trained with only about 60,000 small organic molecular conformers, the resulting model retains interpretability, extensibility, and transferability when testing on much larger chemical systems and predicting various molecular properties. Overall, this work demonstrates the virtues of incorporating physics-based descriptions with ML to develop models that are simultaneously accurate, transferable, and interpretable.

18.
Sensors (Basel) ; 22(12)2022 Jun 19.
Article in English | MEDLINE | ID: mdl-35746409

ABSTRACT

As the existing processing algorithms for LiDAR echo decomposition are time-consuming, this paper proposes an FPGA-based improved Gaussian full-waveform decomposition method. The proposed FPGA architecture consists of three modules: (i) a pre-processing module, which is used to pipeline data reading and Gaussian filtering, (ii) the inflection point coordinate solution module, applied to the second-order differential operation and to calculate inflection point coordinates, and (iii) the Gaussian component parameter solution and echo component positioning module, which is utilized to calculate the Gaussian component and echo time parameters. Finally, two LiDAR datasets, covering the Congo and Antarctic regions, are used to verify the accuracy and speed of the proposed method. The experimental results show that (i) the accuracy of the FPGA-based processing is equivalent to that of PC-based processing, and (ii) the processing speed of the FPGA-based processing is 292 times faster than that of PC-based processing.

19.
Article in English | MEDLINE | ID: mdl-35565095

ABSTRACT

The ecological security pattern is an important way to coordinate the contradiction between regional economic development and ecological protection and is conducive to promoting regional sustainable development. This study examines Guangxi, a karst region in China. The ecosystem service function and ecological environment sensitivity were both selected to evaluate the ecological conservation importance, and based on the results of the ecological conservation importance evaluation, suitable patches were selected as ecological sources. Meanwhile, resistance factors were selected from both natural factors and human activities to construct a comprehensive resistance surface, circuit theory was used to identify ecological corridors, ecological pinch points, and ecological barrier points, and ecological protection suggestions were then proposed. The results show that there are 50 patches of ecological sources in Guangxi, with a total area of 60,556.99 km2; 115 ecological corridors, with the longest corridor reaching 194.97 km; 301 ecological pinch points, whose spatial distribution is fragmented; and 286 ecological barrier points, most of which are concentrated in the central part of Guangxi. The results of this study provide a reference for the construction of ecological security patterns and ecological conservation in developing countries and karst areas.


Subject(s)
Ecology , Ecosystem , China , Conservation of Natural Resources , Economic Development , Humans
20.
Environ Pollut ; 307: 119544, 2022 Aug 15.
Article in English | MEDLINE | ID: mdl-35636715

ABSTRACT

Significant concerns have been raised regarding to the pollution of antibiotics in recent years due to the abuse of antibiotics and their high detection rate in water. Herein, a novel super adsorbent, boronic acid-modified bacterial cellulose microspheres with a size of 415 µm in diameter was prepared through a facile water-in-oil emulsion method. The adsorbent was characterized by atomic force microscopy, scanning electron microscopy, and fourier transform infrared spectroscopy analyses to confirm its properties. The microspheres were applied as packing materials for the adsorption of tetracycline (TC) from an aqueous solution and hoggery sewer via the reversible covalent interaction between cis-diol groups in TC molecules and the boronic acid ligand. TC adsorption performance had been systemically investigated under various conditions, including the pH, temperature, TC concentration, contact time, and ionic strength. Results showed that the adsorption met pseudo-second-order, Elovich kinetic model and Sips, Redlich-Peterson isothermal models. And the adsorption process was spontaneous and endothermic, with the maximum TC adsorption capacity of 614.2 mg/g. After 18 adsorption-desorption cycles, the adsorption capacity remained as high as 84.5% compared with their original adsorption capacity. Compared with other reported adsorption materials, the microspheres had high adsorption capacity, a simple preparation process, and excellent recovery performance, demonstrating great potential in application on TC removal for water purification and providing new insights into the antibiotic's adsorption behavior of bacterial cellulose-based microspheres.


Subject(s)
Water Pollutants, Chemical , Water Purification , Adsorption , Anti-Bacterial Agents/chemistry , Boronic Acids , Cellulose , Hydrogen-Ion Concentration , Kinetics , Microspheres , Tetracycline/chemistry , Water/chemistry , Water Pollutants, Chemical/chemistry , Water Purification/methods
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