Organizational and Infrastructural Risk Factors for Healthcare-associated Clostridioides difficile Infections or Methicillin-resistant Staphylococcus aureus in Hospitals.

OBJECTIVE: This study explores the infrastructural and organizational risk factors for healthcare-associated (HCA) Clostridioides difficile Infections (CDI) and Methicillin-resistant Staphylococcus aureus (MRSA) in hospitals. METHODS: This is a retrospective observational study involving all eligible inpatient units from 12 hospitals in British Columbia, Canada from April 1, 2020 to September 16, 2021. The outcomes were the average HCA CDI or MRSA rates. Covariates included, but were not limited to, infection control factors (e.g., hand hygiene rate), infrastructural factors (e.g., unit age), and organizational factors (e.g., hallway bed utilization). Multivariable regression was performed to identify statistically significant risk factors. RESULTS: Older units were associated with higher HCA CDI rate (Adjusted Relative Risk (aRR): 0.012; 95%CI [0.004, 0.020]). Higher HCA MRSA rates were associated with decreased hand hygiene rate (aRR: -0.035; 95%CI [-0.063, -0.008]), higher MRSA bioburden (aRR: 9.008; 95%CI [5.586, 12.429]), increased utilization of hallway beds (aRR: 0.680; 95%CI [0.094, 1.267]), increased nursing overtime rate (aRR: 5.018; 95%CI [1.210, 8.826]), and not keeping the clean supply room door closed (aRR: -0.283; 95%CI [-0.536, -0.03]). CONCLUSIONS: The study confirmed the multifaceted nature to infection prevention and emphasized the importance of interdepartmental collaboration to improve patient safety.

Evaluating MODIS cloud-free snow cover datasets using massive spatial benchmark data in the Tibetan Plateau.

Accurate snow cover data is crucial for understanding climate change, managing water resources, and calibrating models. The MODIS (Moderate-resolution Imaging Spectroradiometer) and its cloud-free snow cover datasets are widely used, but they have not been systematically evaluated due to different benchmark data and evaluation parameters. Conventional methods using station observations as a ground truth suffer from underrepresentation and mismatches in temporal and spatial scales. This study established a scale-matched spatial benchmark dataset, compiling from 18,433 Landsat series and 11,172 Sentinel-2 images over two decades, totaling ∼1.86 billion samples and ∼320 million snow samples. We evaluated seven MODIS cloud-free snow cover datasets for seasons, elevation zones, land covers and subregions using this benchmark data. For the clear-sky part, NIEER_MODIS_SCE (MODIS snow cover extent product over China) performs best due to its use of optimal NDSI thresholds suitable for each land use type. This highlights the importance of regional customization in snow mapping algorithms, and it can be further improved in spring, forests and zone 1 by combining it with M*D10A1GL06. For the cloud removed part, one-step integrated spatiotemporal cloud removal datasets perform better than any other approach does. The second-best dataset is obtained from a simple but effective single temporal cloud removal method using nearby time information. For the whole dataset, the best NIEER_MODIS_SCE has an overall accuracy of 0.82 and snow retrieval accuracy of 84.56 %. It performs excellently in most settings but weakest in forests thus requiring more efficient strategies. This research provides new perspectives and methods for objectively assessing MODIS snow cover products and other relevant datasets. These methods can be readily extended to other regions and adapted to future satellite missions. And such findings may guide the selection of more valid snow cover data and the developing of even better snow detecting strategies.

Use of rice straw nano-biochar to slow down water infiltration and reduce nitrogen leaching in a clayey soil.

Biochar exhibits numerous advantages in enhancing the soil environment despite a few limitations due to its lower surface energy. Nanomodified biochar combines the advantages of biochar and nanoscale materials. However, its effects on water infiltration and N leaching in a clayey soil remain unclear. Therefore, this study prepared rice straw nano-biochar by a ball milling method, and investigated its physicochemical properties and effects of bulk biochar and nano-biochar at various addition rates (0 %, 0.5 %, 1 %, 2 %, 3 %, and 5 %) on wetting peak migration, cumulative infiltration, water absorption and retention, and N leaching. The results showed that, compared with bulk biochar, nano-biochar presented a more abundant pore structure with an increase in specific surface area of approximately 1.5 times, accompanied by a 20 % increase in acid functional groups. Compared with those for clayey soil without biochar addition, the wetting front migration time was increased by 10.2 %-123.9 % and 17.0 %-257.9 %, and the cumulative infiltration volume at 60 min was decreased by 26.0 %-48.4 % and 14.1 %-62.4 % for bulk biochar and nano-biochar, respectively. The parameter S of Philip model and the parameter a of Kostiakov model for nano-biochar were lower than those for bulk biochar, whereas the parameter b of Kostiakov model was greater, indicating that nano-biochar decreased initial soil infiltration rate and increased attenuation degree of the infiltration rate. Nano-biochar increased water absorption by 8.03 % and subsequently enhanced water retention capacity relative to bulk biochar. In addition, bulk biochar and nano-biochar reduced NH4+-N leaching by 3.0 %-13.1 % and 5.7 %-39.2 %, respectively, and NO3--N leaching by 2.7 %-3.6 % and 9.0 %-43.3 %, respectively, by decreasing N concentration and leachate volume relative to those with no biochar addition. This study provides new knowledge for nano-biochar application in a clayey soil.

Ferroelectric Al0.85Sc0.15N and Hf0.5Zr0.5O2 Domain Switching Dynamics.

The capability to reliably program partial polarization states with nanosecond programming speed and femtojoule energies per bit in ferroelectrics makes them an ideal candidate to realize multibit memory elements for high-density crossbar arrays, which could enable neural network models with a large number of parameters at the edge. However, a thorough understanding of the domain switching dynamics involved in the polarization reversal is required to achieve full control of the multibit capability. Transient current integration measurements are adopted to investigate the domain dynamics in aluminum scandium nitride (Al0.85Sc0.15N) and hafnium zirconium oxide (Hf0.5Zr0.5O2). The switching dynamics are correlated to the crystal structure of the films. The contributions of domain nucleation and domain wall motion are decoupled by analyzing the rate of change of the time-dependent normalized switched polarization. Thermally activated creep domain wall motion characterizes the Al0.85Sc0.15N switching dynamics. The statistics of independently nucleating domains and the domain wall creep motion in Hf0.5Zr0.5O2 are associated with the spatially inhomogeneous distribution of local switching field due to polymorphism, absence of preferential crystallite orientation, as well as defects and charges that can be located at the grain boundaries. The c-axis texture, single-phase nature, and strong likelihood of less fabrication process-induced defects contribute to the homogeneity of the local switching field in Al0.85Sc0.15N. Nonetheless, defects generated and redistributed upon bipolar electric field switching cycling result in Al0.85Sc0.15N domain wall pinning. The wake-up effect in Hf0.5Zr0.5O2 is explained thorough the continuous addition of switchable regions associated with two independent distributions of characteristic switching times.

Influence of Biaxial Strain and Interfacial Layer Growth on Ferroelectric Wake-Up and Phase Transition Fields in ZrO2.

Investigations on fluorite-structured ferroelectric HfO2/ZrO2 thin films are aiming to achieve high-performance films required for memory and computing technologies. These films exhibit excellent scalability and compatibility with the complementary metal-oxide semiconductor process used by semiconductor foundries, but stabilizing ferroelectric properties with a low operation voltage in the as-fabricated state of these films is a critical component for technology advancement. After removing the influence of interfacial layers, a linear correlation is observed between the biaxial strain and the electric field for transforming the nonferroelectric tetragonal to the ferroelectric orthorhombic phase in ZrO2 thin films. This observation is supported by applying the principle of energy conservation in combination with ab initio and molecular dynamics simulations. According to the simulations, a rarely reported Pnm21 orthorhombic phase may be stabilized by tuning biaxial strain in the ZrO2 films. This study demonstrates the significant influence of interfacial layers and biaxial strain on the phase transition fields and shows how strain engineering can be used to improve ferroelectric wake-up in ZrO2.

Elucidating causal relationships of diet-derived circulating antioxidants and the risk of osteoporosis: A Mendelian randomization study.

Background: Osteoporosis (OP) is typically diagnosed by evaluating bone mineral density (BMD), and it frequently results in fractures. Here, we investigated the causal relationships between diet-derived circulating antioxidants and the risk of OP using Mendelian randomization (MR). Methods: Published studies were used to identify instrumental variables related to absolute levels of circulating antioxidants like lycopene, retinol, ascorbate, and ß-carotene, as well as antioxidant metabolites such as ascorbate, retinol, α-tocopherol, and γ-tocopherol. Outcome variables included BMD (in femoral neck, lumbar spine, forearm, heel, total body, total body (age over 60), total body (age 45-60), total body (age 30-45), total body (age 15-30), and total body (age 0-15)), fractures (in arm, spine, leg, heel, and osteoporotic fractures), and OP. Inverse variance weighted or Wald ratio was chosen as the main method for MR analysis based on the number of single nucleotide polymorphisms (SNPs). Furthermore, we performed sensitivity analyses to confirm the reliability of the findings. Results: We found a causal relationship between absolute retinol levels and heel BMD (p = 7.6E-05). The results of fixed effects IVW showed a protective effect of absolute retinol levels against heel BMD, with per 0.1 ln-transformed retinol being associated with a 28% increase in heel BMD (OR: 1.28, 95% CI: 1.13-1.44). In addition, a sex-specific effect of the absolute circulating retinol levels on the heel BMD has been observed in men. No other significant causal relationship was found. Conclusion: There is a positive causal relationship between absolute retinol levels and heel BMD. The implications of our results should be taken into account in future studies and in the creation of public health policies and OP prevention tactics.

Ln3+ Induced Thermally Activated Delayed Fluorescence of Chiral Heterometallic Clusters Ln2Ag28.

A series of TADF-active compounds: 0D chiral Ln-Ag(I) clusters L-/D-Ln2Ag28-0D (Ln=Eu/Gd) and 2D chiral Ln-Ag(I) cluster-based frameworks L-/D-Ln2Ag28-2D (Ln=Gd) has been synthesized. Atomic-level structural analysis showed that the chiral Ag(I) cluster units {Ag14S12} in L-/D-Ln2Ag28-0D and L-/D-Ln2Ag28-2D exhibited similar configurations, linked by varying numbers of [Ln(H2O)x]3+ (x=6 for 0D, x=3 for 2D) to form the final target compounds. Temperature-dependent emission spectra and decay lifetimes measurement demonstrated the presence of TADF in L-Ln2Ag28-0D (Ln=Eu/Gd) and L-Gd2Ag28-2D. Experimentally, the remarkable TADF properties primarily originated from {Ag14S12} moieties in these compounds. Notably, {Ag14S12} in L-Eu2Ag28-0D and L-Gd2Ag28-2D displayed higher promote fluorescence rate and shorter TADF decay times than L-Gd2Ag28-0D. Combined with theoretical calculations, it was determined that the TADF behaviors of {Ag14S12} cluster units were induced by 4 f perturbation of Ln3+ ions. Specially, while maintaining ΔE(S1-T1) small enough, it can significantly increase k(S1→S0) and reduce TADF decay time by adjusting the type or number of Ln3+ ions, thus achieving the purpose of improving TADF for cluster-based luminescent materials.

A one-two punch strategy for diabetic wound management based on an antibiotic-hybrid biomineralized iron sulfide nanoparticle.

Bacterial infection and immune imbalance are the primary culprits behind chronic wounds in individuals with diabetes, impeding the progression of damaged tissues towards normal healing. To achieve a harmonious balance between pro- and anti-inflammation within these infected areas, herein, we propose a one-two punch strategy for on-demand therapy of diabetes-infected wounds, utilizing an azithromycin (AZM)-hybrid nanocomposite termed GOx@FexSy/AZM. During the infective stage, the nanocomposite facilitates the production of ROS, coupled with the burst release of AZM and H2S gas, effectively dismantling biofilms and achieving rapid sterilization. Subsequently, the hyperinflammatory response induced by antibiosis is significantly mitigated through the synergistic action of tissue H2S and the prolonged half-life of AZM. These components inhibit the activity of pro-inflammatory transcription factors (AP-1 and NF-κB) within macrophages, thereby promoting the polarization of macrophages towards a reparative M2 phenotype and facilitating tissue remodeling. By catering to the diverse requirements of wound healing at different stages, this nanocomposite accelerates a sensible transition from inflammation to the reparative phase. In summary, this one-two punch strategy gives an instructive instance for procedural treatment of diabetes wound infection. STATEMENT OF SIGNIFICANCE: The treatment of diabetic wound infection presents two major challenges: the diminished antibacterial efficacy arising from biofilm formation and bacterial resistance, as well as the inadequate transition of the wound microenvironment from pro-inflammatory to anti-inflammatory states after bacterial clearance. In this work, a biomineralized iron sulfide nanocomposite was prepared to mediate cascade catalytic (ROS storm) / antibiotic (AZM) / gas (H2S) triple-synergetic antibacterial therapy during the initial stage of bacterial infection, achieving the goal of rapid bactericidal effect; Subsequently, the residual H2S and long half-life AZM would inhibit the key pro-inflammatory transcription factors and promote the macrophages polarization to reparative M2, which effectively mediated tissue repair after hyperinflammatory reactions, leading to orderly treatment of hyperglycemic infected wounds.

DoseDiff: Distance-aware Diffusion Model for Dose Prediction in Radiotherapy.

Treatment planning, which is a critical component of the radiotherapy workflow, is typically carried out by a medical physicist in a time-consuming trial-and-error manner. Previous studies have proposed knowledge-based or deep-learning-based methods for predicting dose distribution maps to assist medical physicists in improving the efficiency of treatment planning. However, these dose prediction methods usually fail to effectively utilize distance information between surrounding tissues and targets or organs-at-risk (OARs). Moreover, they are poor at maintaining the distribution characteristics of ray paths in the predicted dose distribution maps, resulting in a loss of valuable information. In this paper, we propose a distance-aware diffusion model (DoseDiff) for precise prediction of dose distribution. We define dose prediction as a sequence of denoising steps, wherein the predicted dose distribution map is generated with the conditions of the computed tomography (CT) image and signed distance maps (SDMs). The SDMs are obtained by distance transformation from the masks of targets or OARs, which provide the distance from each pixel in the image to the outline of the targets or OARs. We further propose a multi-encoder and multi-scale fusion network (MMFNet) that incorporates multi-scale and transformer-based fusion modules to enhance information fusion between the CT image and SDMs at the feature level. We evaluate our model on two in-house datasets and a public dataset, respectively. The results demonstrate that our DoseDiff method outperforms state-of-the-art dose prediction methods in terms of both quantitative performance and visual quality.

The mitochondrial genome of Monoserius pennarius (Linnaeus, 1758) from the East China Sea.

The species Monoserius pennarius (Linnaeus, 1758), is particularly abundant in the tropical Indo-West Pacific east of Sri Lanka, yet very limited genetic information exists for this species. Here, we report the assembled-linear mitochondrial genome of M. pennarius collected from the East China Sea. The 15,197 bp mitogenome contains 13 protein-coding genes (PCGs), two tRNA genes, and two rRNA genes. Notably, the gene order in this mitogenome differs from that of other hydrozoans within the same taxonomic order. Phylogenetic analysis, based on 13 concatenated mitochondrial PCGs, recovered M. pennarius as a sister of Nemalecium lighti (Hargitt, 1924), outside the other Leptothecata hydrozoans, suggesting paraphyly of Leptothecata. The mitogenome of M. pennarius, serving as the first publicly available for the family Aglaopheniidae, holds foreseeable value for investigating Leptothecata evolution.

The effects of role stressors and smartphone interactions on delivery riders' unsafe behaviors during the delivery process in China.

Objectives. Although some studies have shown role stressors can lead to unsafe behaviors, it is unclear how role stressors induce delivery riders' unsafe behaviors. We found that delivery riders suffered from tremendous role stressors during the delivery process and had to conduct frequent smartphone interactions. This study aimed to explore the effects of role stressors and smartphone interactions on delivery riders' unsafe behaviors. Methods. First, a questionnaire survey (N = 326) was used to collect data, and correlation and regression analyses were conducted to explore the relationship between role stressors, smartphone interaction frequency and delivery riders' unsafe behaviors. Second, a scenario survey (N = 35) was conducted, and comparative analysis was used to further explore how smartphone interactions affect delivery riders' unsafe behaviors. Results. The questionnaire survey revealed that role stressors, smartphone interaction frequency and delivery riders' unsafe behaviors were positively correlated. In addition, the role stressors forced delivery riders to conduct necessary and unnecessary smartphone interactions. The scenario survey found that smartphone interactions reduced delivery riders' motion speed and motion ability, and increased their psychology, so they had a risk-taking mentality, which led to an increase in unsafe behaviors.

Characterizing the Pathogenicity and Mycotoxin Production Capacity of Fusarium spp. Causing Root Rot of Angelica sinensis in China.

Root rot is a very destructive soil-borne disease, which severely affects the quality and yield of Angelica sinensis in major planting areas of Gansu Province, China. Twelve Fusarium strains were identified from root rot tissue and infected soil in the field by comparing each isolate strain internal transcribed spacer, translation elongation factor 1-α sequence and RNA polymerase second largest subunit gene with the sequences of known fungal species in the NCBI database. Of these isolates, four were F. acuminatum, followed by three F. solani, two F. oxysporum, and one each of F. equiseti, F. redolens, and F. avenaceum. Under greenhouse conditions, pathogenicity testing experiment was carried out using five strains: two F. acuminatum, one F. solani, one F. oxysporum, and one F. equiseti. Among them, the incidence of F. acuminatum-induced root rot on A. sinensis was 100%; hence, it was the most aggressive. Liquid chromatography was used to show that F. acuminatum could produce neosolaniol (NEO), deoxynivalenol, and T-2 toxins. Of these, the level of NEO produced by F. acuminatum was high compared with the other two toxins. By isolating Fusarium spp. and characterizing their toxin-producing capacity, this work provides new information for effectively preventing and controlling A. sinensis root rot in the field as well as improving the quality of its medicinal materials.

Epidural ropivacaine versus bupivacaine for cesarean sections: a system review and meta-analysis.

INTRODUCTION: It is still no consensus on the use of ropivacaine or bupivacaine in epidural anesthesia for cesarean section (CS), because their anesthetic potency and relative complications remains controversial. This system review and meta-analysis aimed to compare the efficacy of epidural ropivacaine and bupivacaine for elective CSs and investigate relative complications for parturients and neonates. METHODS: We searched PubMed, MEDLINE, Embase, Cochrane Library, Science-Direct, and Google Scholar to June 30, 2023 for randomized controlled trials (RCTs), which compared epidural ropivacaine with bupivacaine for elective CSs. The success rate of epidural anesthesia (EA) was primary outcome. The secondary outcomes included onset times of sensory block, maternal side effects, neonatal Apgar scores and umbilical artery pH. RESULTS: We analyzed 8 RCTs with 532 parturients. 0.75% ropivacaine is associated with a shorter onset time of sensory block than 0.5% bupivacaine (SMD = -0.43, 95% CI: -0.70 to -0.17; p = .001). 0.5% ropivacaine resulted in a reduced nausea than 0.5% bupivacaine (RR = 0.49, 95% CI: 0.28 to 0.83; p = .008). In addition, there were no significant difference between ropivacaine and bupivacaine groups in terms of success rate of epidural anesthesia, maternal side effects (hypotension, bradycardia, shivering), and neonatal Apgar scores and umbilical artery pH. CONCLUSIONS: The findings suggest that there were no significant difference between epidural ropivacaine and bupivacaine for elective CSs in terms of the success rate (85.9% vs. 83.5), maternal side effects (hypotension, bradycardia, shivering), and neonatal Apgar scores and umbilical artery pH. But compared with 0.5% bupivacaine, epidural 0.75% ropivacaine was mildly effective for reducing onset time of sensory block and 0.5% ropivacaine reduced the incidence of maternal nausea.

Attention-Gated Deep-Learning-Based Automatic Digitization of Interstitial Needles in High-Dose-Rate Brachytherapy for Cervical Cancer.

Purpose: Deep learning can be used to automatically digitize interstitial needles in high-dose-rate (HDR) brachytherapy for patients with cervical cancer. The aim of this study was to design a novel attention-gated deep-learning model, which may further improve the accuracy of and better differentiate needles. Methods and Materials: Seventeen patients with cervical cancer with 56 computed tomography-based interstitial HDR brachytherapy plans from the local hospital were retrospectively chosen with the local institutional review board's approval. Among them, 50 plans were randomly selected as the training set and the rest as the validation set. Spatial and channel attention gates (AGs) were added to 3-dimensional convolutional neural networks (CNNs) to highlight needle features and suppress irrelevant regions; this was supposed to facilitate convergence and improve accuracy of automatic needle digitization. Subsequently, the automatically digitized needles were exported to the Oncentra treatment planning system (Elekta Solutions AB, Stockholm, Sweden) for dose evaluation. The geometric and dosimetric accuracy of automatic needle digitization was compared among 3 methods: (1) clinically approved plans with manual needle digitization (ground truth); (2) the conventional deep-learning (CNN) method; and (3) the attention-added deep-learning (CNN + AG) method, in terms of the Dice similarity coefficient (DSC), tip and shaft positioning errors, dose distribution in the high-risk clinical target volume (HR-CTV), organs at risk, and so on. Results: The attention-gated CNN model was superior to CNN without AGs, with a greater DSC (approximately 94% for CNN + AG vs 89% for CNN). The needle tip and shaft errors of the CNN + AG method (1.1 mm and 1.8 mm, respectively) were also much smaller than those of the CNN method (2.0 mm and 3.3 mm, respectively). Finally, the dose difference for the HR-CTV D90 using the CNN + AG method was much more accurate than that using CNN (0.4% and 1.7%, respectively). Conclusions: The attention-added deep-learning model was successfully implemented for automatic needle digitization in HDR brachytherapy, with clinically acceptable geometric and dosimetric accuracy. Compared with conventional deep-learning neural networks, attention-gated deep learning may have superior performance and great clinical potential.

First Report of Powdery Mildew Caused by Erysiphe cruciferarum on Orychophragmus violaceus in China.

Orychophragmus violaceus is an annual or perennial herb in the Brassicaceae family. It is widely planted in China and used as an ornamental and green manure plant (Luo et al. 2022). In September 2022, a survey conducted in a 600 m2 garden in Lanzhou (36°06'N, 103°43'E) found that over 70% of O. violaceus plants were infected with powdery mildew, with 80% of the leaf area on the upper surface of infected leaves was infected. The white colonies on the upper surface of the leaves gradually expanded, thickened, and spread to cover the stem surface. In severe cases, entire foliage withered and the plants died. Fungal structures were taken from the leaves with adhesive tape and placed in sterile water for microscopic observation. The conidiophores were upright, cylindrical, composed of 3 to 4 cells, and measured 92.3 ± 12.9 × 9.2 ± 0.6 µm (n=30). Conidial pedicels had 21.6 ± 3.4 µm (n=50) long cylindrical podocytes. Monoconidia were cylindrical or oval in shape, 32.9 ± 6.1 µm long and 15.1 ± 2.1 µm wide (n=80). Conidia lacked an obvious cellulose body. The bud tubes formed from the end of conidia, and papillary appressoria developed on the epiphytic mycelia. Based on these morphological characteristics, the pathogen was initially identified as Erysiphe cruciferarum (Braun et al. 2012). To validate the identity, the internal transcribed spacer (ITS) region of an isolate EYL was amplified by PCR and sequenced using both ITS1/ITS4 and ITS5/PM6 primers (Takamatsu et al. 2001). The resulting sequences were deposited at GenBank (accession nos: OR437967 and OR437969). The ITS sequence of the isolate EYL (OR437967) is 99% (451/453) identical to E. cruciferarum (KP730001) on Brassica napus in China and that of the isolate EYL (OR437969) is 100% (509/509) identical to E. cruciferarum (KM260718) on B. juncea in Vietnam. Pathogenicity experiments were performed on six-week-old plants with an average of 10 ± 0.8 leaves. In the inoculated group, five healthy plants were inoculated by gently pressing the upper surface of diseased leaves against the upper surface of leaves of healthy plants for about 5 to 10 seconds. In the control group, the leaves of five healthy plants were treated with asymptomatic using the same method as described above. The plants were maintained in a greenhouse set at 25℃, 14-h photoperiod, and ≥ 70% humidity. After 13 days, all inoculated plants showed symptoms of powdery mildew, while the plants in the control group had no symptoms. The fungus on the inoculated plant was re-isolated and identified as E. cruciferarum based on its morphological characteristics and ITS sequence. Powdery mildew caused by E. cruciferarum has been reported on Cleome hassleriana in Italy and B. juncea in Australia (Garibaldi et al. 2009; Kaur et al. 2008). To our knowledge, this is the first time that powdery mildew caused by E. cruciferarum have been reported on O. violaceus in China. This disease poses a potential threat to the quality and yield of O. violaceus plants, which may warrant the development of preventative and management strategies in the future.

Theoretical Kinetic Study on Hydrogen Abstraction Reactions from n-Pentane by NO2.

The interaction of fuel with NOx chemistry is important for the construction of the reaction mechanism and engine application. In this work, the reaction pathways of nC5H12 + NO2 were studied by high-level electronic structure calculations (DLPNO-CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/cc-pVTZ). The rate constants were calculated by using the multistructural canonical transition-state theory with the Eckart tunneling method (TST/MS-T/ET). The studied condition is in a wide temperature range of 298-2400 K. The influence of MS-T anharmonicity and tunneling effect will be clarified for these site-specific H-abstraction pathways. The result reflects the large deviation introduced by the treatment of MS-T anharmonicity, especially at a high temperature. For the same type of reactions, the rate constants of H-abstraction both occurring at the secondary carbon are not almost identical. The branching ratios show that abstraction from the secondary site forming cis-HONO (R2c) contributes 36-78% to nC5H12 consumption in the temperature range of 298-2400 K. The current results show that the multistructural torsional anharmonicity has a crucial influence on the accurate estimation of branching ratios.

Functional Characterization of a Novel SLC4A4 Variant and Uniparental Isodisomy in Proximal Renal Tubular Acidosis Patient.

SLC4A4 variants are the etiologies of inherited proximal renal tubular acidosis (pRTA), which results in metabolic acidosis, hypokalemia, glaucoma, band keratopathy, and cataract. This study aims to characterize SLC4A4 variant and uniparental isodisomy of chromosome 4 in a patient, and analyse the functional characterization of SLC4A4 variants. This study analyzed renal tubular acidosis disease genes by whole exome sequencing (WES). H3M2 algorithm was used to analyze the run of homozygosity region in chromosomal regions in trio-WES data. The pathogenicity analysis of variants was performed using bioinformatics tools. Additionally, protein stability was analyzed by cycloheximide chase assay. Whole-cell patch clamping was used to examine the electrophysiological properties of NBCe1-A. A novel homozygous SLC4A4 variant was identified in the patient: a missense variant c.496C > T, p. Arg166Trp (NM_003759.4). But the father was heterozygous variant carrier, and the mother did not detect the variant. The H3M2 and UPDio algorithm revealed paternal uniparental isodisomy on chromosome 4 in the patient. SIFT, Poly Phen-2, FATHMM and Mutant Taster showed that the variant might be pathogenic. The tertiary structure analysis showed that the variant could cause structural damage to NBCe1 protein. Foldx results showed that the protein stability of the variant was slightly reduced. Cycloheximide chase assay demonstrated that the variant affects protein stability. The result of electrophysiological studies showed that the variant altered Na+/HCO3- cotransport activity of protein. In conclusion, the study is the first to report a pRTA patient with Arg166Trp variant with UPiD (4) pat and analyze the function of Arg166Trp variant.

Generalisation of radiotherapy dose calculation for Monte Carlo algorithm combined with 3D Swin-Unet: a multi-institutional IMRT evaluation.

Objective.Accurate dose calculations are essential prerequisites for precise radiotherapy. The integration of deep learning into dosimetry could consider computational accuracy and efficiency and has potential applicability to clinical dose calculation. The generalisation of a deep learning dose calculation method (hereinafter referred to as TERMA-Monte Carlo network, T-MC net) was evaluated in clinical practice using intensity-modulated radiotherapy (IMRT) plans for various human body regions and multiple institutions, with the Monte Carlo (MC) algorithm serving as a benchmark.Approach. Sixty IMRT plans were selected from four institutions for testing the head and neck, chest and abdomen, and pelvis regions. Using the MC results as the benchmark, the T-MC net calculation results were used to perform three-dimensional dose distribution and dose-volume histogram (DVH) comparisons of the entire body, planning target volume (PTV) and organs at risk (OARs), respectively, and calculate the mean ±95% confidence interval of gamma pass rate (GPR), percentage of agreement (PA) and dose difference ratio (DDR) of dose indices D95, D50, and D5.Main results. For the entire body, the GPRs of 3%/3 mm, 2%/2 mm, 2%/1 mm, and the PA were 99.62 ± 0.32%, 98.50 ± 1.09%, 95.60 ± 2.90% and 97.80 ± 1.12%, respectively. For the PTV, the GPRs of 3%/3 mm, 2%/2 mm, 2%/1 mm and the PA were 98.90 ± 1.00%, 95.78 ± 2.83%, 92.23 ± 4.74% and 98.93 ± 0.62%, respectively. The absolute value of average DDR was less than 1.4%.Significance. We proposed a general dose calculation framework based on deep learning, using the MC algorithm as a benchmark, performing a generalisation test for IMRT treatment plans across multiple institutions. The framework provides high computational speed while maintaining the accuracy of MC and may become an effective dose algorithm engine in treatment planning, adaptive radiotherapy, and dose verification.

Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.

Due to the lack of effective synthetic strategies, the preparation of chemically stable chiral Ag(I) cluster-based materials for assembly remains challenging. Here, we have developed an approach to synthesize three pairs of chiral Ln-Ag(I) cluster-based metal-organic frameworks (MOFs) named l-LnAg5-3D (Ln = Gd for 1-L, Eu for 2-L, and Tb for 3-L) and d-LnAg5-3D (Ln = Gd for 1-D, Eu for 2-D, and Tb for 3-D) by employing a chiral Ag(I) cluster ({Ag5S6}) as the node and Ln3+ ion as the inorganic linker. Structural analysis revealed that the chiral ligands induced chirality through the entire structure, resulting in a chiral helix arrangement of the C3-symmetric chiral {Ag5S6} nodes and Ln3+ ions. These compounds showed high solvent stability in various polar organic solvents. The solid-state circular dichroism (CD) spectra of compounds l-LnAg5-3D and d-LnAg5-3D exhibited obvious mirror symmetrical peaks. The emission spectra in the solid state revealed that compound 1-L only exhibited the emission peak of {Ag5S6}, while compounds 2-L and 3-L exhibited overlapping peaks of Ln3+ and {Ag5S6} at different excitation wavelengths. This demonstrates the tunable photoluminescence from {Ag5S6} to Ln3+ by introducing different Ln3+ ions and manipulating the excitation wavelengths. The study underscores the enhanced stability of Ag(I) cluster-based MOFs achieved through the incorporation of Ln3+ ions and establishes chiral Ln-Ag(I) cluster-based MOFs as promising candidates for advanced materials with tunable photoluminescence.

Preliminary study on dosimetry characteristics of a novel cylindrical dose verification system.

OBJECTIVE: To develop a novel ionization chamber array dosimetry system, study its dosimetry characteristics, and perform preliminary tests for plan dose verification. METHODS: The dosimetry characteristics of this new array were tested, including short-term and long-term reproducibility, dose linearity, dose rate dependence, field size dependence, and angular dependence. The open field and MLC field plans were designed for dose testing. Randomly select 30 patient treatment plans (10 intensity-modulated radiation therapy [IMRT] plans and 20 volumetric modulated arc therapy [VMAT] plans) that have undergone dose verification using Portal Dosimetry to perform verification measurement and evaluate dose verification test results. RESULTS: The dosimetry characteristics of the arrays all performed well. The gamma passing rates (3%/2 mm) were more than 96% for the combined open field and MLC field plans. The average gamma pass rates were (99.54 ± 0.58)% and (96.70 ± 3.41)% for the 10 IMRT plans and (99.32 ± 0.89)% and (94.91 ± 6.01)% for the 20 VMAT plans at the 3%/2 mm and 2%/2 mm criteria, respectively, which is similar to the Portal Dosimetry's measurement results. CONCLUSIONS: This novel ionization chamber array demonstrates good dosimetry characteristics and is suitable for clinical IMRT and VMAT plan verifications.