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2.
BMC Bioinformatics ; 22(Suppl 10): 419, 2021 Sep 03.
Artigo em Inglês | MEDLINE | ID: mdl-34479487

RESUMO

BACKGROUND: RNA velocity is a novel and powerful concept which enables the inference of dynamical cell state changes from seemingly static single-cell RNA sequencing (scRNA-seq) data. However, accurate estimation of RNA velocity is still a challenging problem, and the underlying kinetic mechanisms of transcriptional and splicing regulations are not fully clear. Moreover, scRNA-seq data tend to be sparse compared with possible cell states, and a given dataset of estimated RNA velocities needs imputation for some cell states not yet covered. RESULTS: We formulate RNA velocity prediction as a supervised learning problem of classification for the first time, where a cell state space is divided into equal-sized segments by directions as classes, and the estimated RNA velocity vectors are considered as ground truth. We propose Velo-Predictor, an ensemble learning pipeline for predicting RNA velocities from scRNA-seq data. We test different models on two real datasets, Velo-Predictor exhibits good performance, especially when XGBoost was used as the base predictor. Parameter analysis and visualization also show that the method is robust and able to make biologically meaningful predictions. CONCLUSION: The accurate result shows that Velo-Predictor can effectively simplify the procedure by learning a predictive model from gene expression data, which could help to construct a continous landscape and give biologists an intuitive picture about the trend of cellular dynamics.


Assuntos
RNA , Análise de Célula Única , Perfilação da Expressão Gênica , Aprendizado de Máquina , RNA/genética , Análise de Sequência de RNA , Sequenciamento Completo do Exoma
3.
Bioengineered ; 12(1): 6808-6820, 2021 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-34519633

RESUMO

Special electromagnetic field-treated water (SEW) and far-infrared radiation (FIR) can reduce acute respiratory distress syndrome (ARDS) in rats inflicted by lipopolysaccharides (LPSs). However, little is known about its underlying molecular mechanism. Differentially expressed proteins (DEPs) of SEW and FIR interventions were obtained from a proteomics database. A total of 89 DEPs were identified. Enrichment analysis of DEPs was performed using the Database for Annotation, Visualization, and Integrated Discovery. These DEPs were associated with the responses to LPSs, acute inflammation, extracellular exosomes, glucocorticoids, and electrical stimuli. The protein-protein interaction network was set up using the STRING database. Modular analysis was performed using MCODE in the Cytoscape software. Proteins Haptoglobin, Apolipoprotein B, Transthyretin, and Fatty acid binding protein 1 were among the core networks. A tail vein injection of LPS was used to establish the rat model with ARDS. Parallel reaction monitoring confirmed Hp protein expression. Inflammatory pathway factors were detected using an enzyme-linked immunosorbent assay. This indicates that SEW and FIR can be considered as potential clinical treatment methods for ARDS treatment and that their functional mechanisms are related to the ability of alleviating lung inflammation through Hp protein adjustment.

4.
Nat Commun ; 12(1): 5431, 2021 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-34521849

RESUMO

Small cell lung cancer (SCLC) is a highly malignant tumor which is eventually refractory to any treatment. Intratumoral heterogeneity (ITH) may contribute to treatment failure. However, the extent of ITH in SCLC is still largely unknown. Here, we subject 120 tumor samples from 40 stage I-III SCLC patients to multi-regional whole-exome sequencing. The most common mutant genes are TP53 (88%) and RB1 (72%). We observe a medium level of mutational heterogeneity (0.30, range 0.0~0.98) and tumor mutational burden (TMB, 10.2 mutations/Mb, range 1.1~51.7). Our SCLC samples also exhibit somatic copy number variation (CNV) across all patients, with an average CNV ITH of 0.49 (range 0.02~0.99). In terms of mutation distribution, ITH, TMB, mutation clusters, and gene signatures, patients with combined SCLC behave roughly the same way as patients with pure SCLC. This condition also exists in smoking patients and patients with EGFR mutations. A higher TMB per cluster is associated with better disease-free survival while single-nucleotide variant ITH is linked to worse overall survival, and therefore these features may be used as prognostic biomarkers for SCLC. Together, these findings demonstrate the intratumoral genetic heterogeneity of surgically resected SCLC and provide insights into resistance to treatment.

5.
J Infect Dis ; 2021 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-34522963

RESUMO

BACKGROUND: Early-life severe respiratory syncytial virus (RSV) infection has been associated with subsequent risk of asthma and recurrent wheeze. However, changes in the association over time and the interaction effect of the age at first RSV infection are less well understood. We aimed to assess the time-varying association between RSV and subsequent asthma and wheeze admission and explore how the association was affected by the age at RSV infection. METHODS: We retrospectively followed up a cohort of 23 365 children for a median of 6.9 years using Scottish health databases. Children who were born between 2001 and 2013 and had RSV-associated respiratory tract infection (RTI) admissions under 2 years were in the exposed group; those with unintentional accident admissions under 2 years comprised the control group. The Cox proportional-hazards model was used to report adjusted hazard ratios (HRs) of RSV admissions on subsequent asthma and wheeze admissions. We did subgroup analyses by follow-up years. We also explored how this association was affected by the age at first RSV admission. RESULTS: The association was strongest in the first 2 years of follow-up and decreased over time. The association persisted for 6 years in children whose first RSV-RTI admission occurred at 6-23 months of age, with an adjusted HR of 3.9 (95% confidence interval [CI], 3.1-4.9) for the first 2 years, 2.3 (95% CI, 1.6-3.2) for 2 to <4 years, and 1.9 (95% CI, 1.2-2.9) for 4 to <6 years of follow-up. In contrast, the association was only significant for the first 2 years after first RSV-RTI admissions occurring at 0-5 months. CONCLUSIONS: We found a more persistent association for subsequent asthma and wheeze in children whose first severe RSV infection occurred at 6-23 months compared to those whose first severe RSV infection occurred at 0-6 months. This provides new evidence for further assessment of the association and RSV intervention programs.

6.
Adv Healthc Mater ; : e2101181, 2021 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-34523255

RESUMO

It is common to improve the relevant performance in the field of energy storage materials or catalytic materials by regulating the number of defects. However, there are few studies on the biomaterials containing defects for tissue engineering. Herein, a new type of defect-rich scaffolds, black akermanite (B-AKT) bioceramic scaffolds with micro/nanostructure, the thickness of which is from 0.14 to 1.94 µm, is fabricated through introducing defects on the surface of bioceramic scaffolds. The B-AKT scaffolds have advantages on the degradation rate and the osteogenic capacity over the AKT (Ca2 MgSi2 O7 ) scaffolds due to the surface defects which stimulate the osteogenic differentiation of rabbit bone mesenchymal stem cells via activating bone morphogenetic protein 2 (BMP2) signaling pathway and further promote bone formation in vivo. In addition, the prepared B-AKT scaffolds, the temperature of which can be over 100 °C under the near infrared (NIR) irradiation (0.66 W cm-2 ), possess excellent performance on photothermal and antitumor effects. The work develops an introducing-defect strategy for regulating the biological performance of bioceramic scaffolds, which is expected to be applied in the next generation of bioceramic scaffolds for regenerative medicine.

7.
Int J Hyg Environ Health ; 237: 113834, 2021 Sep 03.
Artigo em Inglês | MEDLINE | ID: mdl-34488179

RESUMO

Rice consumption is an important source of arsenic exposure. Little has known about the impact of rice consumption on arsenic metabolism, which is related to insulin resistance. In this study, we examined the associations between rice consumption and arsenic metabolism, and between arsenic metabolism and insulin resistance in non-diabetic U.S adults who participated in the National Health and Nutrition Examination Survey (NHANES) 2003-2016. Rice consumer was defined as ≥0.25 cups of cooked rice/day. HOMA2-IR was calculated using HOMA2 Calculator software based on participant's fasting glucose and insulin values. Urinary arsenic concentrations below limits of detection were imputed first, and then arsenic metabolism (the proportions of inorganic arsenic (iAs), monomethylarsonate (MMA), and dimethylarsinate (DMA) to their sum) were calculated (expressed as iAs%, MMA%, and DMA%). Using the leave-one-out approach, rice consumers compared with non-consumers had a 1.71% (95% CI: 1.12%, 2.29%) higher DMA% and lower MMA% when iAs% fixed; a 1.55% (95% CI: 0.45%, 2.66%) higher DMA% and lower iAs% when MMA% fixed; and a 1.62% (95% CI: 0.95%, 2.28%) higher iAs% and lower MMA% when DMA% fixed, in multivariable adjustment models. With every 10% decrease in MMA%, the geometric mean ratio of HOMA2-IR was 1.06 (95% CI: 1.03,1.08) and 1.05 (95% CI: 1.02, 1.09) when DMA% and iAs% was fixed, respectively; however, the associations were attenuated after adjusting for body mass index. In stratified analysis, we found that lower MMA% was associated with higher HOMA2-IR in participants with obesity: a 10% increase in iAs% with a 10% decrease in MMA% was associated with higher HOMA2-IR with the geometric mean ratio of 1.05 (95% CI: 1.01, 1.09). Our findings suggest that rice consumption may contribute to lower MMA% that was further associated with higher insulin resistance, especially in individuals with obesity. Future prospective studies are needed to confirm our results in different populations.

8.
J Hazard Mater ; 416: 125729, 2021 08 15.
Artigo em Inglês | MEDLINE | ID: mdl-34492776

RESUMO

Metal sites (Ni, Bi or Ag) were introduced into carbon strengthened expanded graphite (CEG) based photocatalysts, and performed as a novel strategy to enhance the elimination of Microcystis aeruginosa and microcystin-LR from water. Results show that metal doping can efficiently improve the adsorption of harmful algae and enhance the photocatalytic activities in inactivation of harmful algae and degradation of MC-LR. Among the CEG catalysts, Ni-CEG can achieve the highest removal rate up to 90.6% for algal cells with 5 h visible light irradiation, while Bi-CEG catalyst provides the best performance for MC-LR degradation with the removal rate of 80.9% in 6 h visible light irradiation. In general, considering the coexistence of algal cells and microcystin-LR, Bi-CEG is proved to be an excellent candidate for the remediation of eutrophicated waters since it can achieve the efficient removal of both harmful algae and MC-LR. DFT calculations indicate that metal doping can transform the photocatalysts into n-type semiconductor, and provide the mid-gap state. In addition, the partial charge density distribution near Fermi level was mainly composed by the metal dopants, which can enhance the interaction with harmful algae and MC-LR.

9.
Molecules ; 26(17)2021 Aug 28.
Artigo em Inglês | MEDLINE | ID: mdl-34500663

RESUMO

The soft tissue sealing at the transmucal portion of implants is vital for the long-term stability of implants. Hydrogenated titanium nanotubes (H2-TNTs) as implant surface treatments were proved to promote the adhesion of human gingival fibroblasts (HGFs) and have broad usage as drug delivery systems. Bovine serum albumin (BSA) as the most abundant albumin in body fluid was crucial for cell adhesion and was demonstrated as a normal loading protein. As the first protein arriving on the surface of the implant, albumin plays an important role in initial adhesion of soft tissue cells, it is also a common carrier, transferring and loading different endogenous and exogenous substances, ions, drugs, and other small molecules. The aim of the present work was to investigate whether BSA-loaded H2-TNTs could promote the early adhesion of HGFs; H2-TNTs were obtained by hydrogenated anodized titanium dioxide nanotubes (TNTs) in thermal treatment, and BSA was loaded in the nanotubes by vacuum drying; our results showed that the superhydrophilicity of H2-TNTs is conducive to the loading of BSA. In both hydrogenated titanium nanotubes and non-hydrogenated titanium nanotubes, a high rate of release was observed over the first hour, followed by a period of slow and sustained release; however, BSA-loading inhibits the early adhesion of human gingival fibroblasts, and H2-TNTs has the best promoting effect on cell adhesion. With the release of BSA after 4 h, the inhibitory effect of BSA on cell adhesion was weakened.

10.
Int J Nanomedicine ; 16: 6067-6094, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34511906

RESUMO

In recent years, Au-based nanomaterials are widely used in nanomedicine and biosensors due to their excellent physical and chemical properties. However, these applications require Au NPs to have excellent stability in different environments, such as extreme pH, high temperature, high concentration ions, and various biomatrix. To meet the requirement of multiple applications, many synthetic substances and natural products are used to prepare highly stable Au NPs. Because of this, we aim at offering an update comprehensive summary of preparation high stability Au NPs. In addition, we discuss its application in nanomedicine. The contents of this review are based on a balanced combination of our studies and selected research studies done by worldwide academic groups. First, we address some critical methods for preparing highly stable Au NPs using polymers, including heterocyclic substances, polyethylene glycols, amines, and thiol, then pay attention to natural product progress Au NPs. Then, we sum up the stability of various Au NPs in different stored times, ions solution, pH, temperature, and biomatrix. Finally, the application of Au NPs in nanomedicine, such as drug delivery, bioimaging, photothermal therapy (PTT), clinical diagnosis, nanozyme, and radiotherapy (RT), was addressed concentratedly.

11.
J Cent South Univ ; : 1-12, 2021 Sep 06.
Artigo em Inglês | MEDLINE | ID: mdl-34513130

RESUMO

Heat strain experienced by individuals wearing chemical protective clothing (CPC) is severe and dangerous especially in hot-humid environment. The development of material science and interdisciplinary studies including ergonomics, physiology and heat transfer is urgently required for the reduction of heat strain. The aim of this paper was to study the relationship among clothing thermal properties, physiological responses and environmental conditions. Three kinds of CPC were selected. Eight participants wore CPC and walked (4 km/h, two slopes with 5% and 10%) on a treadmill in an environment with (35±0.5) °C and RH of (60±5)%. Core temperature, mean skin temperature, heart rate, heat storage and tolerance time were recorded and analyzed. Physiological responses were significantly affected by the clothing thermal properties and activity intensity in hot-humid environment. The obtained results can help further development of heat strain model. New materials with lower evaporative resistance and less weight are necessary to release the heat strain in hot-humid environments.

12.
BMC Complement Med Ther ; 21(1): 228, 2021 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-34517855

RESUMO

BACKGROUND: Traditional Chinese Medicine (TCM) has been a proposed treatment option for ulcerative colitis (UC), however it has been difficult to understand the breadth and depth of evidence as various Chinese medicine therapies may produce effects differently. The aim of this evidence mapping is to visually understand the available evidence in the use of TCM in the treatment of UC, and to identify gaps in evidence to inform priorities of future research. METHODS: A systematic electronic literature search of six databases were performed to identify systematic reviews (SRs) on different Chinese medicine therapies in the treatment in UC. Methodological quality of the included SRs was assessed using AMSTAR 2. RESULTS: The mapping was based on 73 SRs, which included nine interventions that met eligibility criteria. The quality of the included SRs was very low. The diseases stages of patients with UC varied greatly, from active to remission, to non-acute outbreak, to not reported. The results mostly favored the method of intervention. Oral administration combined with enema was the most widely used route of administration in secondary research. CONCLUSION: Based on the current evidence, the treatment of UC with TCM can only be recommended cautiously. A majority of included SRs did not report the location of the disease, the disease classification, and the route of administration of the intervention. Further research is needed on the effectiveness of Chinese medicine alone in the treatment of UC. The effectiveness of combined Chinese and conventional medicine combined with different routes of administration cannot be confirmed. Attention should be paid to the methodological quality of the systematic review. Unifies the outcome indicators used in the evaluation of effectiveness.

13.
BMJ Open ; 11(9): e045655, 2021 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-34518248

RESUMO

INTRODUCTION: Irritable bowel syndrome (IBS) is a common chronic functional gastrointestinal disorder that presents with abdominal pain/discomfort and altered bowel patterns. IBS has multiple potential causes for which conventional medicines have had limited success, resulting in a significant number of patients who do not sensitively respond to pharmacotherapy for a period of 12 months and who develop a continuing symptom profile (described as refractory IBS) and seek help through (non)pharmacological treatments. The aim of this study is to investigate the efficacy and safety of acupuncture therapy for refractory IBS on the basis of conventional treatments. METHODS AND ANALYSIS: A total of 170 eligible patients who meet the Rome IV criteria for refractory IBS will be randomly allocated to receive acupuncture or sham acupuncture. Each patient will receive 12 sessions of acupuncture over 4 weeks and a 4-week follow-up. The primary outcome will be the IBS Symptom Severity Score. Secondary outcomes will include the proportion of participants experiencing adequate relief of global IBS symptoms, the weekly frequency of defecation, the stool properties assessed by the Bristol Grading Scale, the Work and Social Adjustment Scale, the IBS-Quality of Life score, and the Self-Rating Depression Scale and Self-Rating Anxiety Scale anxiety and depression scores. Outcome measures will be collected at baseline, 2 and 4 weeks of the intervention, and 6 and 8 weeks after the intervention. Categorical variables will be compared with Fisher's exact test or the Wilcoxon rank-sum test, and continuous variables will be compared using Student's t-test or the Wilcoxon rank-sum test. ETHICS AND DISSEMINATION: The entire project has been approved by the ethics committees of Beijing University of Chinese Medicine (2020BZYLL0507) and Sichuan Province Regional Institution for Conducting Research on Traditional Chinese Medicine (2020KL-025). The outcomes of the trial will be disseminated through peer-reviewed publications. TRIAL REGISTRATION NUMBER: NCT04276961.

14.
Org Biomol Chem ; 2021 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-34519742

RESUMO

The electrochemical sulfonylation of enamides with sodium sulfinates was developed in an undivided cell in constant current mode, leading to the formation of ß-amidovinyl sulfones in moderate to good yields. The catalyst-, electrolyte- and oxidant-free protocol features good functional group tolerance and employs electric current as a green oxidant. Mechanistic insights into the reaction indicate that the reaction may proceed via a radical mechanism.

15.
Phys Rev Lett ; 127(9): 090501, 2021 Aug 27.
Artigo em Inglês | MEDLINE | ID: mdl-34506190

RESUMO

Non-Hermitian topological phases exhibit a number of exotic features that have no Hermitian counterparts, including the skin effect and breakdown of the conventional bulk-boundary correspondence. Here, we implement the non-Hermitian Su-Schrieffer-Heeger Hamiltonian, which is a prototypical model for studying non-Hermitian topological phases, with a solid-state quantum simulator consisting of an electron spin and a ^{13}C nuclear spin in a nitrogen-vacancy center in a diamond. By employing a dilation method, we realize the desired nonunitary dynamics for the electron spin and map out its spin texture in the momentum space, from which the corresponding topological invariant can be obtained directly. From the measured spin textures with varying parameters, we observe both integer and fractional winding numbers. The non-Hermitian topological phase with fractional winding number cannot be continuously deformed to any Hermitian topological phase and is intrinsic to non-Hermitian systems. Our result paves the way for further exploiting and understanding the intriguing properties of non-Hermitian topological phases with solid-state spins or other quantum simulation platforms.

16.
Fetal Diagn Ther ; : 1-10, 2021 Sep 10.
Artigo em Inglês | MEDLINE | ID: mdl-34510037

RESUMO

OBJECTIVE: The aim of the study was to evaluate whether fetal ultrasound could determine bronchial isomerism and distinguish left isomerism from right isomerism. METHODS: We identified 110 healthy fetuses and 28 fetuses with isomerism. The outer angle between the tracheal midline and the inner margin of the bronchus is measured. The bronchial angles and the ratio of left/right bronchial angle were used to differentiate bronchial morphology and confirm the presence of bronchial isomerism in pathological cases. RESULTS: The normal angles of the left and right bronchi were 146.98° (95% CI, 145.15-147.81°) and 167.37° (95% CI, 166.30-168.44°), separately. The cutoff bronchial angle of 156.5° was used to distinguish left bronchus from right bronchus. The bronchial isomerism could be identified in all pathological cases by autopsy and bronchial-atrial concordance occurred in 27 pathological cases (96.4%). In 21 pathological cases, the bilateral bronchial angle was <156.5 versus >156.5 differentiated left from right isomerism, respectively. The ratio of the left/right bronchial angle of >0.935 identified 92.9% (26/28) of all pathological cases, with a sensitivity of 89.7%. CONCLUSIONS: Fetal ultrasound can detect the bronchial morphology and the presence of bronchial isomerism in fetuses with isomerism according to bronchial angles and the ratio of left/right bronchial angle.

17.
CNS Neurosci Ther ; 2021 Sep 12.
Artigo em Inglês | MEDLINE | ID: mdl-34510762

RESUMO

AIMS: Human urinary kallidinogenase (HUK) has shown favorable efficacies in acute ischemic stroke (AIS) treatment. We sought confirmation of the safety and efficacy of HUK for AIS in a large population. METHODS: RESK study enrolled patients with AIS of anterior circulation to receive HUK infusion. The primary endpoint was the incidence of treatment-emergent adverse events (AEs). Secondary endpoints assessed neurological and functional improvements and stroke recurrent rate. RESULTS: Of 1206 eligible patients, 1202 patients received at least one dose of HUK infusion and 983 (81.5%) completed the study. The incidence of treatment-emergent AEs and serious AEs were 55.99% and 2.41%, respectively. Pre-specified AEs of special interest occurred in 21.71% of patients, but the majority were mild and unrelated to therapy. Hypertension, age, treatment time, and drug combination were identified to be associated with drug-related blood pressure reduction. Neurological and functional evaluations revealed favorable outcomes from baseline to post-treatment assessment. The cumulative recurrence rate of stroke was 2.50% during the 90-day assessment. CONCLUSION: HUK had an acceptable safety and tolerability profile in AIS patients. Besides, HUK demonstrated the neurological and functional improvements in AIS, further confirming its clinical efficacy in a real-world large population.

18.
J Food Sci ; 2021 Sep 12.
Artigo em Inglês | MEDLINE | ID: mdl-34514602

RESUMO

Perilla seed oil (PSO) has a special aromatic odor, which is unpleasant to the personal preferences of some consumers. To this end, this article evaluated the differences in volatile organic compounds (VOCs), physicochemical characteristics, and fatty acid composition of PSO treated with ethanol (PSO-EA), activated carbon (PSO-AC), and activated kaolin (PSO-AK). The results showed that in the PSO, PSO-EA, PSO-AC, and PSO-AK samples, the content of linolenic acid, oleic acid, and linoleic acid hardly changed. Among the physicochemical characteristics of the four samples, the color difference between PSO and PSO-EA was greater than the color difference between PSO and PSO-AC, PSO-AK. The three treatment methods had the greatest impact on the PSO peroxide value but had little effect on other indicators. Gas chromatography-ion mobility spectrum results identified 28 known volatiles, of which aldehydes, alkenals, alcohols, ketones, and esters were the main groups. Fingerprint analysis found that PSO had an aromatic odor, which includes 1-hexanol, hexanal, and 2-pentylfuran; the removal effect of ethanol on VOCs in PSO was better than that of activated carbon and activated kaolin. The difference between the four oil samples was found from the strength of the VOCs' signals in a two-dimensional map. From the principal components analysis and the "nearest neighbor" fingerprint analysis, it was found that PSO is generally quite different from PSO-EA, PSO-AC, and PSO-AK, while in the "nearest neighbor" fingerprint analysis, PSO-AC and PSO-AK are similar in general. In short, PSO will have better applications in the food field. PRACTICAL APPLICATION: Treatment of PSO with ethanol, activated carbon, and activated kaolin is conducive to the comprehensive utilization of edible resources. In this work, ethanol, activated carbon, and activated kaolin were used to remove VOCs in PSO, and PSO-EA, PSO-AC, and PSO-AK were obtained. The perilla seed oil after these three treatment methods was tested for VOCs, physicochemical characteristics, and fatty acid composition. They can meet the needs of more consumers without affecting the fatty acid composition in the PSO, and have broad development prospects.

19.
Phys Rev Lett ; 127(8): 082301, 2021 Aug 20.
Artigo em Inglês | MEDLINE | ID: mdl-34477442

RESUMO

Diffusion wake is an unambiguous part of the jet-induced medium response in high-energy heavy-ion collisions that leads to a depletion of soft hadrons in the opposite direction of the jet propagation. New experimental data on Z-hadron correlation in Pb+Pb collisions at the Large Hadron Collider show, however, an enhancement of soft hadrons in the direction of both the Z and the jet. Using a coupled linear Boltzmann transport and hydro model, we demonstrate that medium modification of partons from the initial multiple parton interaction (MPI) gives rise to a soft hadron enhancement that is uniform in azimuthal angle while jet-induced medium response and soft gluon radiation dominate the enhancement in the jet direction. After subtraction of the contributions from MPI with a mixed-event procedure, the diffusion wake becomes visible in the near-side Z-hadron correlation. We further employ the longitudinal and transverse gradient jet tomography for the first time to localize the initial jet production positions in Z/γ-jet events in which the effect of the diffusion wake is apparent in Z/γ-hadron correlation even without the subtraction of the MPI contribution.

20.
Sci Rep ; 11(1): 17686, 2021 Sep 03.
Artigo em Inglês | MEDLINE | ID: mdl-34480055

RESUMO

The fluorescent molecules utilizing hybridized local and charge-transfer (HLCT) state as potential organic light-emitting diodes materials attract extensive attention due to their high exciton utilization. In this work, we have performed the density functional theory method on three HLCT-state molecules to investigate their excited-state potential energy surface (PES). The calculated results indicate the T1 and T2 energy gap is quite large, and the T2 is very close to S1 in the energy level. The large gap is beneficial for inhibiting the internal conversion between T1 and T2, and quite closed S1 and T2 energies are favor for activating the T2 → S1 reverse intersystem crossing path. However, considering the singlet excited-state PES by twisting the triphenylamine (TPA) or diphenylamine (PA) group, it can be found that the TPA or PA group almost has no influence on T1 and T2 energy levels. However, the plots of S1 PES display two kinds of results that the S1 emissive state is dominated by charge-transfer (CT) or HLCT state. The CT emission state formation would decrease the S1 energy level, enlarge the S1 and T2 gap, and impair the triplet exciton utilization. Therefore, understanding the relationship between the S1 PES and molecular structures is important for designing high-performance luminescent materials utilizing HLCT state.

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