The nonequilibrium Green's function (NEGF) method combined with ab initio calculations has been widely used to study charge transport in molecular junctions. However, the significant computational demands of high-resolution calculations for all device components pose challenges in simulating junctions with complex molecular junction structures and understanding the functionality of molecular devices. In this study, we developed a series of computational methods capable of effectively handling the molecular Hamiltonian, electrode electronic structures, and their interfacial coupling at different theoretical levels.
View Article and Find Full Text PDFConventional active guidance laws can achieve asymptotic or finite-time convergence of the line-of-sight (LOS) angle error. However, the convergence time is relatively conservative. In this article, we propose predefined-time (PT) sliding-mode (SM) convergence active defense guidance laws.
View Article and Find Full Text PDFBranched-chain amino acids (BCAAs) are essential amino acids in tomato () required for protein synthesis, which also modulate growth and abiotic stress responses. To date, little is known about their uptake and transport in tomato especially under abiotic stress. Here, the tomato () gene was identified as an amino acid transporter that restored mutant yeast cell growth on media with a variety of amino acids, including BCAAs.
View Article and Find Full Text PDFBackground: Degenerative lumbar scoliosis (DLS) represents a distinct subset of adult spinal deformity, frequently co-occurring with thoracolumbar kyphosis (TLK) in the sagittal plane. TLK is typically viewed as detrimental in degenerative spinal conditions and has been linked to increased pain severity and a higher prevalence of mechanical complications (MC) as previously reported. The present study aimed to identify the risk factors associated with the development of MC in patients with DLS and concomitant TLK.
View Article and Find Full Text PDFObjective: High-grade dysplastic spondylolisthesis (HGDS) is a relatively rare condition mainly involving the L5/S1 segment of the spine and occurring in children and adolescents. Whether surgical fixation should be L5-S1 monosegmental or extended up to L4 remains controversial. This study aimed to compare clinical outcomes and the risk of adjacent segment spondylolisthesis between L5-S1 monosegmental fixation and L4-S1 double-segmental fixation for pediatric HGDS.
View Article and Find Full Text PDFVia conductance measurements of thousands of single-molecule junctions, we report that the π-π coupling between neighboring aromatic molecules can be manipulated by laser illumination. We reveal that this optical manipulation originates from the optical plasmonic gradient force generated inside the nanogaps, in which the gapped antenna electrodes act as optical tweezers pushing the neighboring molecules closer together. These findings offer a nondestructive approach to regulate the interaction of the molecules, deepening the understanding of the mechanism of π-π interaction, and open an avenue to manipulate the relative position of extremely small objects down to the scale of single molecules.
View Article and Find Full Text PDFPhotothermal therapy (PTT) is a promising approach for treating glioblastoma multiforme (GBM) with minimal invasiveness and favorable outcomes. Conjugated polymers as photothermal agents offer stability, biocompatibility, and adjustable absorption capacity. However, existing polymers face limitations in achieving high photothermal conversion efficiency and strong absorbance in the near-infrared (NIR) region, posing a risk of damaging healthy tissues surrounding GBM during precise PTT.
View Article and Find Full Text PDFActa Psychol (Amst)
November 2024
Study Design: A cross-sectional cohort study.
Objective: To present a normative value reference of spinal segmental inclination stratified by age and pelvic incidence (PI), and to clarify the impact of segmental inclination on spinal sagittal morphology.
Summary Of Background Data: Thoracolumbar segmental inclination has been shown to correlate with the clinical outcomes of adult spinal deformity surgery.
Earthen sites in China are widely exposed to freeze-thaw environments. There is a lack of knowledge about the spatial distribution patterns of freeze-thaw deterioration and environments, as well as preventive conservation strategies and subsequent refined research on the freeze-thaw deterioration of earthen sites. In this study, the freeze-thaw deterioration process of earthen sites was divided into two periods.
View Article and Find Full Text PDFObjective: To describe a novel technique, posterior thoracic antidisplacement and fusion (PTAF), for a special type of ossification of the posterior longitudinal ligament in the thoracic spine (T-OPLL), and to evaluate its safety and efficacy.
Methods: From July to December 2020, 5 consecutive patients with beak-type T-OPLL located at the thoracic vertebral body level underwent PTAF surgery. Their demographic data, radiological parameters, perioperative complications, and surgery-related findings were recorded and analyzed.
Phys Chem Chem Phys
May 2024
π-stacking interaction, as a fundamental type of intermolecular interaction, plays a crucial role in generating new functional molecules, altering the optoelectronic properties of materials, and maintaining protein structural stability. However, regulating intermolecular π-π interactions at the single-molecule level without altering the molecular conformation as well as the chemical properties remains a significant challenge. To this end, conductance measurement with thousands of single molecular junctions employing a series of aromatic molecules, we demonstrate that the π-π coupling between neighboring aromatic molecules with rigid structures in a circuit can be greatly enhanced by increasing the bias voltage.
View Article and Find Full Text PDFPhys Chem Chem Phys
April 2024
ACS Appl Mater Interfaces
December 2023
Photothermal therapy (PTT) using near-infrared (NIR) conjugated polymers as photosensitizers has exhibited enormous potential for tumor treatment. However, most NIR conjugated polymers have poor therapeutic efficacy due to their faint absorbance in the NIR region and low photothermal conversion efficiency (PCE). Herein, a valuable strategy for designing NIR polymeric photosensitizer PEKBs with an enhanced PCE accompanied by strong NIR absorbance is proposed by means of inserting TPA-AQ as a thermally activated delayed fluorescence unit into a polymeric backbone.
View Article and Find Full Text PDFvar. is an endangered medicinal plant endemic to China with great economic importance for the pharmaceutical industry. Two significant barriers to its commercial development are the long duration of its seed germination and the frequency of interspecific hybridization.
View Article and Find Full Text PDFIEEE Trans Image Process
July 2023
Video object detection is a fundamental and important task in computer vision. One mainstay solution for this task is to aggregate features from different frames to enhance the detection on the current frame. Off-the-shelf feature aggregation paradigms for video object detection typically rely on inferring feature-to-feature (Fea2Fea) relations.
View Article and Find Full Text PDFStudy Design: Retrospective cohort study.
Objectives: To describe the clinical characteristics and surgical outcomes of patients with multilevel-ossification of the posterior longitudinal ligament (mT-OPLL), and to identify risk factors for unfavorable outcomes.
Methods: Patients who were diagnosed with mT-OPLL and underwent one-stage thoracic posterior laminectomy combined with selective OPLL resection, spinal cord de-tension, and fusion surgery between August 2012 and October 2020 were recruited.
Tomato () is the most valuable fruit and horticultural crop species worldwide. Compared with the fruits of their progenitors, those of modern tomato cultivars are, however, often described as having unsatisfactory taste or lacking flavor. The flavor of a tomato fruit arises from a complex mix of tastes and volatile metabolites, including sugars, acids, amino acids, and various volatiles.
View Article and Find Full Text PDFPurpose: To investigate the risk factors for thoracic ossification of the ligamentum flavum (TOLF), especially the relationship between BMI and TOLF.
Methods: A total of 856 individuals consisting of 326 controls without ossification of spinal ligaments and 530 TOLF inpatients who underwent thoracic spine decompression surgery at our hospital between January 2013 and September 2020 were included. All subjects were classified into 4 grades: Grade 0) control; Grade 1) single-segment TOLF; Grade 2) multi-segment TOLF; and Grade 3) TOLF combined thoracic ossification of the posterior longitudinal ligament (T-OPLL).
Rice ( L.) is one of the most globally important crops, nutritionally and economically. Therefore, analyzing the genetic basis of its nutritional quality is a paramount prerequisite for cultivating new varieties with increased nutritional health.
View Article and Find Full Text PDFBackground Context: Multilevel ossification of the posterior longitudinal ligament in thoracic spine (mT-OPLL) is a rare but clinically significant spinal condition. Various surgical methods have been developed to address this disease. However, the outcomes are commonly unfavorable, and no standard surgical strategy has been established.
View Article and Find Full Text PDFStudies have confirmed the relationship between dysregulated long noncoding RNAs and melanoma pathogenesis. However, the regulatory functions of long intergenic non-protein coding RNA 1291 (LINC01291) in melanoma remain unknown. Therefore, we evaluated LINC01291 expression in melanoma and explored its roles in regulating tumor behaviors.
View Article and Find Full Text PDFBackground & Aims: Epidemiological evidence on the associations of egg, cholesterol and protein intake with risk of type 2 diabetes is inconsistent. Therefore, we conducted this study to explore these associations among Chinese adults.
Methods: Data from 4 waves (2004, 2006, 2009 and 2011) of the China Health and Nutrition Survey were used.