bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of Discontinuing Levofloxacin Prophylaxis on Bloodstream Infections in Neutropenic Hematopoietic Stem Cell Transplantation Patients
Authors: Guimarães Thaís , Borges Igor Carmo , Spadão Fernanda de Souza , Mariano Livia , Nascimento Marina de Mattos , Higashino Hermes , Rossi Flavia , Rocha Vanderson , Costa Silvia Figueiredo
Published: September 2022

Multidrug-resistant pathogens have emerged worldwide. We have driven the hypothesis that the non-use of fluoroquinolone prophylaxis during neutropenia could reduce antibiotic resistance in Gram-negative bacteria that cause bloodstream infections (BSIs) in hematopoietic stem cell transplantation (HSCT) patients and that this change in resistance pattern could lead to an impact on BSI mortality. This is a quasi-experimental study comparing BSI incidence, resistance patterns of bacteria that cause BSI, and BSI mortality when levofloxacin prophylaxis was routine for neutropenic HSCT patients (2016–2018) to when fluoroquinolone prophylaxis was discontinued in our center (2019). Bivariate comparisons and multivariate logistic regression models were used for analyses. A total of 310 HSCTs (66 (21%) allogeneic and 244 (79%) autologous) were performed during the study period. Sixty (19%) patients had BSIs, 30 in each evaluated period. The discontinuation of levofloxacin prophylaxis was associated with an increase in BSI incidence and a decrease in the resistance rates of causative BSI bacteria and in BSI 30-day mortality. The increase in the rate of resistant bacteria causing BSI and in BSI mortality might outweigh the benefits of a decrease in BSI incidence caused by fluoroquinolone prophylaxis in neutropenic HSCT patients. We suggest that the routine use of fluoroquinolone in this context be revisited.
Clinical Prevalence, Antibiogram Profiling and Gompertz Growth Kinetics of Resistant Staphylococcus epidermidis Treated with Nanoparticles of Rosin Extracted from Pinus roxburghii
Authors: Majeed Zahid , Qudir Javid Muhammad , Nawazish Shamyla , Ahmad Basharat , Hassan Faiz Abu ul , Baig Ayesha , Baig Sofia , Mahnashi Mater H. , Jalal Naif A. , Asiri Abdulaziz , Al Ali Amer
Published: September 2022

The rise of methicillin-resistant Staphylococcus epidermidis (MRSE) makes it difficult to treat infections that increase morbidity and mortality rates in various parts of the world. The study’s objectives include identifying the clinical prevalence, antibiogram profile, and Gompertz growth kinetics of MRSE treated with synthetically created nanoparticles of rosin obtained from Pinus roxburghii. A total of 64 of 200 clinical isolates of S. epidermidis (32% of the total) displayed sensitivity (40.62%) and resistance (59.37%) to seven different antibiotic classes. The most sensitive patterns of antibiotic resistance were seen in 20 (78.95%) and 24 (94.74%) isolates of MRSE against piperacillin/tazobactam and cephradine, respectively. Fosfomycine was found to be the most effective antibiotic against MRSE in 34 (89.47%) isolates, followed by amoxicillin. Successfully produced, described, and used against MRSE were rosin maleic anhydride nanoparticles with a size range of 250 nm to 350 nm. Five different concentrations of 25, 50, 75, 100, and 150 mg mL−1 rosin maleic anhydride nanoparticles were investigated to treat MRSE resistance. According to Gompertz growth kinetics, the maximal growth response was 32.54% higher and the lag phase was also 10.26% longer compared to the control when the amount of rosin maleic anhydride nanoparticles was increased in the MRSE. Following the application of rosin maleic anhydride nanoparticles, the growth period is extended from 6 to 8 h. A potential mechanism for cell disintegration and distortion is put forth. This investigation came to the conclusion that rosin maleic anhydride nanoparticles better interfere with the surface of MRSE and demonstrated a preferred bacteriostatic action.
Resistance to Fluoroquinolones in Pseudomonas aeruginosa from Human, Animal, Food and Environmental Origin: The Role of CrpP and Mobilizable ICEs
Authors: López María , Rojo-Bezares Beatriz , Chichón Gabriela , Sáenz Yolanda
Published: September 2022

Fluoroquinolone resistance and the associated genetic mechanisms were assessed by antimicrobial susceptibility and whole genome sequencing in 56 Pseudomonas aeruginosa strains from human, animal, food and environmental origins. P. aeruginosa PAO1, PA7 and PA14 reference strains were also included in the study. Twenty-two strains (37%) were resistant to, at least, one fluoroquinolone agent. Correlation between the number of changes in GyrA and ParC proteins and the level of fluoroquinolone resistance was observed. Mutations or absence of genes, such as mexZ, mvaT and nalD encoding efflux pumps regulators, were also found in resistant strains. The crpP gene was detected in 43 strains (72.9%; 17 of them non-clinical strains), and coded seven different CrpP variants, including a novel one (CrpP-7). The crpP gene was located in 23 different chromosomal mobile integrative and conjugative elements (ICEs), inserted in two tRNAs integration sites. A great variety of structures was detected in the crpP-ICEs elements, e.g., the fimbriae related cup clusters, the mercury resistance mer operon, the pyocin S5 or S8 bacteriocin encoding genes, and mobilization genes. The location of crpP-like genes in mobilizable ICEs and linked to heavy metal resistance and virulence factors is of significant concern in P. aeruginosa. This work provides a genetic explanation of the fluoroquinolone resistance and crpP-associated pathogenesis of P. aeruginosa from a One-Health approach.
Special Issue “Spine and Spinal Cord Biomechanics and Rehabilitation”
Authors: Nishida Norihiro
Published: September 2022

Spinal cord injuries are directly related to quality of life [...]
Proposed New Analytical Method of Tower Load in Large-Span Arch Bridge Cable Lifting Construction
Authors: Huang Qian , Wu Xiaoguang , Zhang Yunfei , Ma Min
Published: September 2022

The cable lifting construction method is the most widely used construction method for large-span arch bridges. The correct calculation and analysis of cable lifting construction is essential to ensure the safety and linearity in the construction of arch bridges. The existing research mainly focuses on the construction scheme and finite element analysis of cable lifting for large-span arch bridges. There is relatively little research on calculation theory, and there is no analytical method for cable lifting construction of arch bridges. To calculate and analyze cable lifting construction more quickly and accurately, based on the deformation coordination principle and suspension cable theory, a practical calculation method is proposed to calculate the load of the tower acting by a cable system in the cable lifting construction of arch bridges. A large-span arch bridge under construction was used as a case study, and the correctness of the calculation method was verified by measuring the displacements of the tower top. A brief description of the structure, verification method, and verification process is presented. The displacement results are calculated by the numerical calculation software SAP2000, the actual measured displacement data are discussed and comparatively analyzed, and the correctness and calculation accuracy of the proposed calculation method are also evaluated. The results show that the calculation method has sufficient accuracy. The tower load calculation is mainly undertaken to prepare for the analysis of the tower mechanical properties; therefore, the calculation method is applied to towers of the case engineering, and the stability, load carrying capacity, and deformation of the tower are analyzed to verify whether its mechanical properties meet the engineering requirements. The results show that steel pipe columns of the buckle tower are prone to twisting instability. The normal stress of the tower’s part of the pressurized rod or pressurized bending rod is larger. Wind cable load calculation models and tower design-related recommendations are presented in this tower analysis. The tower load calculation method and tower mechanics analysis method in this study can provide guidance for the calculation and analysis of the cable lifting construction of large-span arch bridges.
Design and Kinematic Analysis of Cable-Driven Target Spray Robot for Citrus Orchards
Authors: Bao Xiulan , Niu Yuxin , Li Yishu , Mao Jincheng , Li Shanjun , Ma Xiaojie , Yin Qilin , Chen Biyu
Published: September 2022

In Southeast Asia, many varieties of citrus are grown in hilly areas. Compared with plain orchards, it is difficult for large spraying equipment to move in hilly orchards. Small spraying equipment can enter hilly orchards, but their spraying power cannot make droplets penetrate into the canopy, resulting in low deposition rates within the canopy. As a kind of unstructured narrow space, the branches within the canopy are interlaced, thus a flexible manipulator that can move within the canopy is required. In this paper, a novel remote-controlled, cable-driven target spray robot (CDTSR) was designed to achieve a precise spray within the canopy. It consisted of a small tracked vehicle, a cable-driven flexible manipulator (CDFM), and a spray system. The CDFM had six degrees of freedom driven by a cable tendon. The forward and inverse kinematics model of the CDFM were established and then the semispherical workspace was calculated. Furthermore, while considering precise control requirements, the dynamics equations were derived. The experimental results demonstrated that the CFDM could move dexterously within the canopy with interlacing branches to reach pests and diseases areas in the canopy. The entire operation took 3.5 s. This study solved the problem of a low spray deposition rate within a canopy and has potential applications in agricultural plant protection.
Special Issue on Development and Application of Particle Detectors
Authors: Giachero Andrea , Gironi Luca
Published: September 2022

Particle detection has been increasingly applied over a wide range of disciplines, including high-energy physics, astroparticles, space science and astronomy, biological sciences, medical imaging, remote sensing, environmental monitoring, cultural heritage, and homeland security [...]
Influence of FK209 Cobalt Doped Electron Transport Layer in Cesium Based Perovskite Solar Cells
Authors: Hayali Ahmed , Reeves Roger J. , Alkaisi Maan M.
Published: September 2022

The efficiency and stability of perovskite solar cells (PSCs) depend not only on the perovskite film quality, but they are also influenced by the charge carriers of both the electron and hole transport layers (ETL and HTL). Doping of the carrier transport layers is considered one of effective technique applied to enhance the efficiency and performance of the PSCs. FK209 cobalt TFSI and lithium TFSI salt were investigated as dopants for mesoporous TiO2 (M-TiO2) in the ETL. Herein, FK209 cobalt doping offers improved conductivity, reproducibility and stability compared to other doping or undoped M-TiO2 control device. It has been found that an optimum concentration of 2.5 mg FK209 cobalt in the M-TiO2 has resulted in an efficiency of 15.6% on 0.36 cm2 active device area, whereas, the undoped M-TiO2 yielded an average efficiency of 10.8%. The enhanced efficiency is due to the improved conductivity of the ETL while maintaining high transparency and low surface roughness with FK209 doping. The M-TiO2 doped with FK209 has a transparency of the 90% over the visible range and its measured energy gap was 3.59 eV. Perovskite films deposited on the M-TiO2 doped with FK209 has also a lower PL intensity indicating faster charge extraction. The measured lifetime of the perovskite films deposited on the optimised M-TiO2 film was 115.8 ns.
Design and Synthesis of 3D-Graphene@C/Co@N-C Composites with Broadband Microwave Absorption Performance
Authors: Li Songyan , Tian Xiaoxia , Wang Jiafu , Qu Shaobo
Published: September 2022

Improving the microwave absorption performance of Co-MOF-derived Co@N-C composite by constructing the morphology and spatial structure is a known challenge. In this work, under the action of the binder polyvinylpyrrolidone, 3D-graphene particles can be well decorated on the surface of the Co@N-C composite after high-temperature pyrolysis. In addition, due to the structural characteristics of MOFs, Co particles can be well covered by a carbon layer, which effectively solves the problem that magnetic metal particles are prone to corrosion and oxidation. The microwave absorption performances of the composite can be well adjusted by changing the average dotted density of the 3D-graphene on the Co@N-C composite. It is worth noting that the maximum reflection loss can reach −58.72 dB at the thickness of 1.64 mm, and the maximum effective absorption bandwidth can achieve 5.74 GHz at the 1.79 mm thickness, which almost covers the whole Ku band. Importantly, these results demonstrate that 3D-graphene@C/Co@N-C composites have great potential as high-efficiency microwave absorption materials.
Geodetic Upper Crust Deformation Based on Primary GNSS and INSAR Data in the Strymon Basin, Northern Greece—Correlation with Active Faults
Authors: Lazos Ilias , Papanikolaou Ioannis , Sboras Sotirios , Foumelis Michael , Pikridas Christos
Published: September 2022

The Strymon basin (Northern Greece) belongs to the geodynamically active regime of the Aegean and, as expected, it hosts active faults. Nevertheless, the study area exhibits a low instrumentally and historically recorded seismicity. In order to comprehend the crustal deformation, we implemented GNSS- and InSAR-based techniques. Global Navigation Satellite System (GNSS) primary geodetic data recorded by 32 permanent stations over 7 years were analyzed and input in the triangulation methodology so as to calculate a series of deformational parameters. Moreover, a geostatistical methodology indicated the spatial distribution of each parameter, showing strain delimited up to 2750 × 10−9. These results are in broad agreement with palaeoseismological surveys and active fault mapping. Moreover, InSAR analysis, based on a 6-year data recording, concluded that no horizontal rates have been traced in the E–W direction; if they do exist, they would be below resolution (less than 2 mm/yr). Peak vertical subsidence values of a few mm/yr are traced towards the hanging wall of the Serres fault zone within the Quaternary sediments at the eastern margin of Strymon basin but are attributed mainly to groundwater extraction. However, it is noteworthy that geodetic strain analysis implies: (a) that a couple of areas need further study to trace potentially active faults by palaeoseismological means; (b) the fault trace of the Serres fault zone might be further prolonged 8–10 km eastwards, where Quaternary sediments cover the fault.
Earthquake Risk Probability Evaluation for Najin Lhasa in Southern Tibet
Authors: Zhang Jianlong , Zhu Ye , Ji Yingfeng , Zhu Weiling , Qu Rui , Gongqiu Zhuoma , Xie Chaodi
Published: September 2022

The probabilistic seismic hazard analysis (PSHA) method is effectively used in an earthquake risk probability evaluation in seismogenic regions with active faults. In this study, by focusing on the potential seismic source area in Najin Lhasa, southern Tibet, and by incorporating the PSHA method, we determined the seismic activity parameters and discussed the relationship of ground motion attenuation, the seismic hazard probability, and the horizontal bedrock ground motion acceleration peak value under different transcendence probabilities in this area. The calculation results show that the PSHA method divides the potential source area via specific tectonic scales and detailed tectonic markers, which reduces the scale of the potential source area and better reflects the uneven spatial distribution of seismic activity in the vicinity of Najin. The corrected attenuation relationship is also in line with the actual work requirements and is suitable for earthquake risk analysis. In addition, the major influences on the peak acceleration of ground motion in the study area are mainly in the potential source areas of Qushui (M7.5), Dangxiong (M8.5), and Kangma (M7.5). The peak horizontal ground motion acceleration (PGA) with a transcendence probability of 10% in 50 years is 185.9 cm/s2, and that with a transcendence probability of 2% in 50 years is 265.9 cm/s2.
Numerical Investigation on Mixing Characteristics and Mechanism of Natural Gas/Air in a Super-Large-Bore Dual-Fuel Marine Engine
Authors: Liu Long , Liu Shihai , Xia Qian , Liu Bo , Ma Xiuzhen
Published: September 2022

Premixed combustion mode dual-fuel (DF) engines are widely used in large-bore marine engines due to their great potential to solve the problem of CO2 emissions. However, detonation is one of the main problems in the development of marine engines based on the premixed combustion mode, which affects the popularization of liquefied natural gas (LNG) engines. Due to the large bore and long stroke, marine dual-fuel engines have unique flow characteristics and a mixture mechanism of natural gas and air. Therefore, the purpose of this study is to present a simulated investigation on the influence of swirl on multiscale mixing and the concentration field, which provides a new supplement for mass transfer theory and engineering applications. It is suggested that the phenomenon of abnormal combustion occurs on account of the distribution of the mixture being uneven in a super-large-bore dual-fuel engine. Further analysis showed that the level of swirl at the late compression stage and the turbulence intensity are the decisive factors affecting the transmission process of natural gas (NG) and distribution of methane (CH4) concentration. Finally, a strategy of improving mixture quality and the distribution of the mixture was proposed.
Interdecadal Change of Ural Blocking Highs and Its Atmospheric Cause in Winter during 1979–2018
Authors: Lu Yao , Li Yan , Xia Quan , Yang Qingyi , Wang Chenghai
Published: September 2022

The Ural blocking (UB) high is a weather system closely related to the cold air process during winter, which could trigger extreme cold events in East Asia. By retrieving five single blocking indexes, including accumulation frequency, central latitude, blocking intensity, mean duration and north rim, it is found that the UB in winter occurs more frequently, grows stronger, lasts longer and is located more northward after 2002, compared with 1985–2001. In order to describe the UB comprehensively, a new comprehensive blocking index (CBI) is developed based on the above five blocking indexes. The CBI can also reflect the interdecadal change of UB synthetically. Analysis on the corresponding atmospheric circulation shows that the relationship between the UB and atmospheric circulation, such as the polar vortex and jet, is closer in 2002–2018 than in 1985–2001. Compared with the atmospheric circulation in 1985–2001, the most prominent feature in 2002–2018 is that the intensity of the polar vortex is weaker at 100 hPa, and that the subtropical jet moves northward. Meanwhile, the East Asian trough downstream of the Urals deepens at 500 hPa and the Siberian high strengthens, indicating that the East Asia winter monsoon is stronger during 2002–2018. Further analysis on atmospheric waves and baroclinicity demonstrates that the meridional circulation of planetary waves strengthens, especially the 2-waves, which may increase the frequency of the UB and shift its location northward after 2002. Additionally, the baroclinicity (−∂T/∂y) in the mid-high latitudes is weakened during winter since 2002, which is also beneficial for the establishment of meridional circulation, causing a stronger intensity and longer duration of the UB.
Efficient Modified Meta-Heuristic Technique for Unconstrained Optimization Problems
Authors: Alnowibet Khalid Abdulaziz , Alshamrani Ahmad M. , Alrasheedi Adel Fahad , Mahdi Salem , El-Alem Mahmoud , Aboutahoun Abdallah , Mohamed Ali Wagdy
Published: September 2022

In this paper, a new Modified Meta-Heuristic algorithm is proposed. This method contains some modifications to improve the performance of the simulated-annealing algorithm (SA). Most authors who deal with improving the SA algorithm presented some improvements and modifications to one or more of the five standard features of the SA algorithm. In this paper, we improve the SA algorithm by presenting some suggestions and modifications to all five standard features of the SA algorithm. Through these suggestions and modifications, we obtained a new algorithm that finds the approximate solution to the global minimum of a non-convex function. The new algorithm contains novel parameters, which are updated at each iteration. Therefore, the variety and alternatives in choosing these parameters demonstrated a noticeable impact on the performance of the proposed algorithm. Furthermore, it has multiple formulas by which the candidate solutions are generated. Diversity in these formulas helped the proposed algorithm to escape a local point while finding the global minimizer of a non-convex function. The efficiency of the proposed algorithm is reported through extensive numerical experiments on some well-known test problems. The performance profiles are used to evaluate and compare the performance of our proposed algorithm against the other five meta-heuristic algorithms. The comparison results between the performance of our suggested algorithm and the other five algorithms indicate that the proposed algorithm is competitive with, and in all cases superior to, the five algorithms in terms of the efficiency, reliability, and effectiveness for finding the global minimizers of non-convex functions. This superiority of the new proposed algorithm is due to those five modified standard features.
Neighborhood Versions of Geometric–Arithmetic and Atom Bond Connectivity Indices of Some Popular Graphs and Their Properties
Authors: Abubakar Muhammad , Aremu Kazeem , Aphane Maggie
Published: September 2022

In this article, we introduce the neighborhood versions of two classical topological indices, namely neighborhood geometric–arithmetic and neighborhood atom bond connectivity indices. We study the graph-theoretic properties of these new topological indices for some known graphs, e.g., complete graph Kn, regular graph Rn, cycle graph Cn, star graph Sn, pendant graph, and irregular graph and further establish their respective bounds. We note that the neighbourhood geometric–arithmetic index of Kn, Rn, Cn, and Sn is equal to the number of edges. The neighborhood atom bond connectivity index of an arbitrary simple graph G is strictly less than the number of edges. Our results contribute to the literature in this direction.
Non-Isolated Neural Tube Defects with Comorbid Malformations Are Responsive to Population-Level Folic Acid Supplementation in Northern China
Authors: Che Xiaoyu , Liu Jufen , Galea Gabriel , Zhang Yali , Greene Nicholas , Zhang Le , Jin Lei , Wang Linlin , Ren Aiguo , Li Zhiwen
Published: September 2022

Objective: Comorbid congenital malformation of multiple organs may indicate a shared genetic/teratogenic causality. Folic acid supplementation reduces the population-level prevalence of isolated neural tube defects (NTDs), but whether complex cases involving independent malformations are also responsive is unknown. We aimed to describe the epidemiology of NTDs with comorbid malformations in a Chinese population and assess the impact of folic acid supplementation. Study Design: Data from five counties in Northern China were obtained between 2002 and 2021 through a population-based birth defects surveillance system. All live births, stillbirths, and terminations because of NTDs at any gestational age were recorded. NTDs were classified as spina bifida, anencephaly, or encephalocele. Isolated NTDs included spina bifida cases with presumed secondary malformations (hydrocephalus, hip dislocation, talipes). Non-isolated NTDs were those with independent concomitant malformations. Results: A total of 296,306 births and 2031 cases of NTDs were recorded from 2002–2021. A total of 4.8% of NTDs (97/2031) had comorbid defects, which primarily affected the abdominal wall (25/97), musculoskeletal system (24/97), central nervous system (22/97), and face (15/97). The relative risk of cleft lip and/or palate, limb reduction defects, hip dislocation, gastroschisis, omphalocele, hydrocephalus, and urogenital system defects was significantly greater in infants with NTDs than in the general population. Population-level folic acid supplementation significantly reduced the prevalence of both isolated and non-isolated NTDs. Conclusion: Epidemiologically, non-isolated NTDs follow similar trends as isolated cases and are responsive to primary prevention by folic acid supplementation. Various clinically-important congenital malformations are over-represented in individuals with NTDs, suggesting a common etiology.
Probiotic Adhesion to Skin Keratinocytes and Underlying Mechanisms
Authors: Lizardo Mariana , Magalhães Rui Miguel , Tavaria Freni Kekhasharú
Published: September 2022

The effects of probiotics on the skin are not yet well understood. Their topical application and benefits derived thereafter have recently been investigated. Improvements in different skin disorders such as atopic dermatitis, acne, eczema, and psoriasis after their use have, however, been reported. One of the mechanisms through which such benefits are documented is by inhibiting colonization by skin pathogens. Bacterial adhesion is the first step for colonization to occur; therefore, to avoid pathogenic colonization, inhibiting adhesion is crucial. In this study, invasion and adhesion studies have been carried out using keratinocytes. These showed that Escherichia coli is not able to invade skin keratinocytes, but adhered to them. Lacticaseibacillus rhamnosus and Propioniferax innocua decreased the viable counts of the three pathogens under study. L. rhamnosus significantly inhibited S. aureus adhesion. P. innocua did not inhibit pathogenic bacteria adhesion, but when added simultaneously with S. aureus (competition assay) a significant adhesion reduction (1.12 ± 0.14 log10CFU/mL) was observed. Probiotic bacteria seem to use carbohydrates to adhere to the keratinocytes, while S. aureus uses proteins. Lacticaseibacillus rhamnosus showed promising results in pathogen inhibition in both in vitro and ex vivo experiments and can potentially be used as a reinforcement of conventional therapies for skin dysbiosis.
Generation and Validation of an Anti-Human PANK3 Mouse Monoclonal Antibody
Authors: Khadka Sunada , Vien Long , Leonard Paul , Bover Laura , Muller Florian
Published: September 2022

Coenzyme A (CoA) is an essential co-factor at the intersection of diverse metabolic pathways. Cellular CoA biosynthesis is regulated at the first committed step—phosphorylation of pantothenic acid—catalyzed by pantothenate kinases (PANK1,2,3 in humans, PANK3 being the most highly expressed). Despite the critical importance of CoA in metabolism, the differential roles of PANK isoforms remain poorly understood. Our investigations of PANK proteins as potential precision oncology collateral lethality targets (PANK1 is co-deleted as part of the PTEN locus in some highly aggressive cancers) were severely hindered by a dearth of commercial antibodies that can reliably detect endogenous PANK3 protein. While we successfully validated commercial antibodies for PANK1 and PANK2 using CRISPR knockout cell lines, we found no commercial antibody that could detect endogenous PANK3. We therefore set out to generate a mouse monoclonal antibody against human PANK3 protein. We demonstrate that a clone (Clone MDA-299-62A) can reliably detect endogenous PANK3 protein in cancer cell lines, with band-specificity confirmed by CRISPR PANK3 knockout and knockdown cell lines. Sub-cellular fractionation shows that PANK3 is overwhelmingly cytosolic and expressed broadly across cancer cell lines. PANK3 monoclonal antibody MDA-299-62A should prove a valuable tool for researchers investigating this understudied family of metabolic enzymes in health and disease.
RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction
Authors: Yan Chaochao , Zhao Peilin , Lu Chan , Yu Yang , Huang Junzhou
Published: September 2022

The main target of retrosynthesis is to recursively decompose desired molecules into available building blocks. Existing template-based retrosynthesis methods follow a template selection stereotype and suffer from limited training templates, which prevents them from discovering novel reactions. To overcome this limitation, we propose an innovative retrosynthesis prediction framework that can compose novel templates beyond training templates. As far as we know, this is the first method that uses machine learning to compose reaction templates for retrosynthesis prediction. Besides, we propose an effective reactant candidate scoring model that can capture atom-level transformations, which helps our method outperform previous methods on the USPTO-50K dataset. Experimental results show that our method can produce novel templates for 15 USPTO-50K test reactions that are not covered by training templates. We have released our source implementation.
Deep Learning for Bone Mineral Density and T-Score Prediction from Chest X-rays: A Multicenter Study
Authors: Sato Yoichi , Yamamoto Norio , Inagaki Naoya , Iesaki Yusuke , Asamoto Takamune , Suzuki Tomohiro , Takahara Shunsuke
Published: September 2022

Although the number of patients with osteoporosis is increasing worldwide, diagnosis and treatment are presently inadequate. In this study, we developed a deep learning model to predict bone mineral density (BMD) and T-score from chest X-rays, which are one of the most common, easily accessible, and low-cost medical imaging examination methods. The dataset used in this study contained patients who underwent dual-energy X-ray absorptiometry (DXA) and chest radiography at six hospitals between 2010 and 2021. We trained the deep learning model through ensemble learning of chest X-rays, age, and sex to predict BMD using regression and T-score for multiclass classification. We assessed the following two metrics to evaluate the performance of the deep learning model: (1) correlation between the predicted and true BMDs and (2) consistency in the T-score between the predicted class and true class. The correlation coefficients for BMD prediction were hip = 0.75 and lumbar spine = 0.63. The areas under the curves for the T-score predictions of normal, osteopenia, and osteoporosis diagnoses were 0.89, 0.70, and 0.84, respectively. These results suggest that the proposed deep learning model may be suitable for screening patients with osteoporosis by predicting BMD and T-score from chest X-rays.
Clinical Performance of Self-Collected Nasal Swabs and Antigen Rapid Tests for SARS-CoV-2 Detection in Resource-Poor Settings
Authors: Sitoe Nádia , Sambo Júlia , Mabunda Nédio , Nguenha Neuza , Chilaúle Jorfélia , Rafael Júlio , Macicame Anésio , Chelene Imelda , Mudenyanga Chishamiso , Sacks Jillian , Viegas Sofia , Loquiha Osvaldo , Jani Ilesh
Published: September 2022

Background: In resource-poor countries, antigen-based rapid tests (Ag-RDTs) performed at primary healthcare and community settings improved access to SARS-CoV-2 diagnostics. However, the technical skills and biosafety requirements inherent to nasopharyngeal and oropharyngeal (OP) specimens limit the scale-up of SARS-CoV-2 testing. The collection of nasal-swabs is programmatically viable, but its performance has not been evaluated in resource-poor settings. Methods: We first evaluated the performance of SteriPack self-collected nasal swabs for the detection of SARS-CoV-2 by real-time PCR in 1498 consecutively enrolled patients with suspected infection. Next, we evaluated the clinical performance of three nasal swab-based Ag-RDTs against real-time PCR on OP specimens. Results: The sensitivity of nasal swabs was 80.6% [95% CI: 75.3–85.2%] compared to OP specimens. There was a good correlation (r = 0.58; p < 0.0001) between Ct values of 213 positive cases obtained using nasal and OP swabs. Our findings show sensitivities of 79.7% [95% CI: 73.3–85.1%] for Panbio COVID-19 Ag-RDT, 59.6% [95% CI: 55.2–63.8%] for COVIOS Ag-RDT, and 78.0% [95% CI: 73.5–82.0%] for the LumiraDx SARS-CoV-2 Ag-RDT. Conclusions: In our setting, the COVIOS Ag-RDT did not meet WHO requirements. Nasal swab-based Ag-RDTs for SARS-CoV-2 detection constitute a viable and accurate diagnostic option in resource-poor settings.
Effects of Social Networks in Promoting Young Adults’ Physical Activity among Different Sociodemographic Groups
Authors: Du Ting , Li Yingru
Published: September 2022

Introduction: Physical inactivity has become a public health issue as it can trigger many chronic diseases. Studies have found that an individual’s social networks (SNs) influence their engagement in physical activity (PA). However, it remains unclear how the influence varies between different sociodemographic groups. This study examined the associations between the SN structures and the PA of young adults across sociodemographic groups. Method: Data on 14,595 young adults aged 24–32 were obtained from Wave IV of the National Longitudinal Study of Adolescent to Adult Health. Latent class analysis was conducted to identify heterogeneous subgroups of respondents with respect to their engagement in PA and SN structures were measured in terms of the relationship quality, contact frequency, network size, and spatial accessibility. Logistic regression and chi-square tests were used to further test the relationships between PA and SNs as well as the sociodemographic factors. Results: SNs were found to have a significant influence on PA. Relationship quality was identified as the most important feature of an individual’s SN, followed by network size, contact frequency, and accessibility. The effects of SNs on PA varied with the individuals’ gender, ethnicity, income, and educational attainment. For example, male participants tended to be physically active if they had frequent connections with their neighbors, while the engagement in PA of the female participants was strongly related to the frequency of their contact with their children. Conclusions: This research has important implications for practitioners as it suggests that PA intervention programs should be designed to target specific population groups.
Surgical Site Infection after Bone Tumor Surgery: Risk Factors and New Preventive Techniques
Authors: Miwa Shinji , Yamamoto Norio , Hayashi Katsuhiro , Takeuchi Akihiko , Igarashi Kentaro , Tsuchiya Hiroyuki
Published: September 2022

The management of malignant bone tumors requires multidisciplinary interventions including chemotherapy, radiation therapy, and surgical tumor resection and reconstruction. Surgical site infection (SSI) is a serious complication in the treatment of malignant bone tumors. Compared to other orthopedic surgeries, the surgical treatment of malignant bone tumors is associated with higher rates of SSIs. In patients with SSIs, additional surgeries, long-term administrations of antibiotics, extended hospital stays, and the postponement of scheduled adjuvant treatments are required. Therefore, SSI may adversely affect functional and oncological outcomes. To improve surgical outcomes in patients with malignant bone tumors, preoperative risk assessments for SSIs, new preventive techniques against SSIs, and the optimal use of prophylactic antibiotics are often required. Previous reports have demonstrated that age, tumor site (pelvis and tibia), extended operative time, implant use, body mass index, leukocytopenia, and reconstruction procedures are associated with an increased risk for SSIs. Furthermore, prophylactic techniques, such as silver and iodine coatings on implants, have been developed and proven to be efficacious and safe in clinical studies. In this review, predictive factors of SSIs and new prophylactic techniques are discussed.
Comparison of Selected Non-Coding RNAs and Gene Expression Profiles between Common Osteosarcoma Cell Lines
Authors: Sikora Mateusz , Krajewska Katarzyna , Marcinkowska Klaudia , Raciborska Anna , Wiglusz Rafał Jakub , Śmieszek Agnieszka
Published: September 2022

Osteosarcoma (OS) is a bone tumour affecting adolescents and elderly people. Unfortunately, basic treatment methods are still underdeveloped, which has a high impact on the poor survivability of the patients. Studies designed to understand the underlying mechanisms of osteosarcoma development, as well as preclinical investigations aimed at establishing novel therapeutic strategies, rely significantly upon in vitro models, which apply well-established cell lines such as U-2 OS, Saos-2 and MG-63. In this study, the expression of chosen markers associated with tumour progression, metastasis and survival were identified using RT-qPCR. Levels of several onco-miRs (miR-21-5p, miR-124-3p, miR-223-3p and miR-320a-3p) and long non-coding RNA MEG3 were established. The mRNA expression of bone morphogenetic proteins (BMPs), including BMP-2, BMP-3, BMP-4, BMP-6, BMP-7, as well as their receptors: BMPR-IA, BMPR-IB and BMPR-II was also determined. Other tested markers included metalloproteinases, i.e., MMP-7 and MMP-14 and survivin (BIRC5), C-MYC, as well as CYCLIN D (CCND1). The analysis included comparing obtained profiles with transcript levels established for the osteogenic HeLa cell line and human adipose-derived stromal cells (hASCs). The tested OS cell lines were characterised by a cancer-related phenotype, such as increased expression of mRNA for BMP-7, as well as MMP-7 and MMP-14. Osteosarcoma cells differ considerably in miR-21-5p and miR-124-3p levels, which can be related to uncontrolled tumour growth. The comprehensive examination of osteosarcoma transcriptome profiles may facilitate the selection of appropriate cell models for preclinical investigations aimed at the development of new strategies for OS treatment.
Generation and Evaluation of Synthetic Computed Tomography (CT) from Cone-Beam CT (CBCT) by Incorporating Feature-Driven Loss into Intensity-Based Loss Functions in Deep Convolutional Neural Network
Authors: Yoo Sang Kyun , Kim Hojin , Choi Byoung Su , Park Inkyung , Kim Jin Sung
Published: September 2022

Deep convolutional neural network (CNN) helped enhance image quality of cone-beam computed tomography (CBCT) by generating synthetic CT. Most of the previous works, however, trained network by intensity-based loss functions, possibly undermining to promote image feature similarity. The verifications were not sufficient to demonstrate clinical applicability, either. This work investigated the effect of variable loss functions combining feature- and intensity-driven losses in synthetic CT generation, followed by strengthening the verification of generated images in both image similarity and dosimetry accuracy. The proposed strategy highlighted the feature-driven quantification in (1) training the network by perceptual loss, besides L1 and structural similarity (SSIM) losses regarding anatomical similarity, and (2) evaluating image similarity by feature mapping ratio (FMR), besides conventional metrics. In addition, the synthetic CT images were assessed in terms of dose calculating accuracy by a commercial Monte-Carlo algorithm. The network was trained with 50 paired CBCT-CT scans acquired at the same CT simulator and treatment unit to constrain environmental factors any other than loss functions. For 10 independent cases, incorporating perceptual loss into L1 and SSIM losses outperformed the other combinations, which enhanced FMR of image similarity by 10%, and the dose calculating accuracy by 1–2% of gamma passing rate in 1%/1mm criterion.
Targeting Microtubule-Associated Protein Tau in Chemotherapy-Resistant Models of High-Grade Serous Ovarian Carcinoma
Authors: Barbolina Maria V.
Published: September 2022

Relapsed, recurrent, chemotherapy-resistant high-grade serous ovarian carcinoma is the deadliest stage of this disease. Expression of microtubule-associated protein tau (tau) has been linked to resistance to paclitaxel treatment. Here, I used models of platinum-resistant and created models of platinum/paclitaxel-resistant high-grade serous ovarian carcinoma to examine the impact of reducing tau expression on cell survival and tumor burden in cell culture and xenograft and syngeneic models of the disease. Tau was overexpressed in platinum/paclitaxel-resistant models; expression of phosphoSer396 and phosphoThr181 species was also found. A treatment with leucomethylene blue reduced the levels of tau in treated cells, was cytotoxic in cell cultures, and efficiently reduced the tumor burden in xenograft models. Furthermore, a combination of leucomethylene blue and paclitaxel synergized in eliminating cancer cells in cell culture and xenograft models. These findings underscore the feasibility of targeting tau as a treatment option in terminal-stage high-grade serous ovarian cancer.
MicroRNA-34a, Prostate Cancer Stem Cells, and Therapeutic Development
Authors: Li Wen (Jess) , Liu Xiaozhuo , Dougherty Emily M. , Tang Dean G.
Published: September 2022

Prostate cancer (PCa) is a highly heterogeneous disease and typically presents with multiple distinct cancer foci. Heterogeneity in androgen receptor (AR) expression levels in PCa has been observed for decades, from untreated tumors to castration-resistant prostate cancer (CRPC) to disseminated metastases. Current standard-of-care therapies for metastatic CRPC can only extend life by a few months. Cancer stem cells (CSCs) are defined as a subpopulation of cancer cells that exists in almost all treatment-naive tumors. Additionally, non-CSCs may undergo cellular plasticity to be reprogrammed to prostate cancer stem cells (PCSCs) during spontaneous tumor progression or upon therapeutic treatments. Consequently, PCSCs may become the predominant population in treatment-resistant tumors, and the “root cause” for drug resistance. microRNA-34a (miR-34a) is a bona fide tumor-suppressive miRNA, and its expression is dysregulated in PCa. Importantly, miR-34a functions as a potent CSC suppressor by targeting many molecules essential for CSC survival and functions, which makes it a promising anti-PCSC therapeutic. Here, we conducted a comprehensive literature survey of miR-34a in the context of PCa and especially PCSCs. We provided an updated overview on the mechanisms of miR-34a regulation followed by discussing its tumor suppressive functions in PCa. Finally, based on current advances in miR-34a preclinical studies in PCa, we offered potential delivery strategies for miR-34a-based therapeutics for treating advanced PCa.
Semi-Hydrogenation of Acetylene to Ethylene Catalyzed by Bimetallic CuNi/ZSM-12 Catalysts
Authors: Hu Song , Zhang Chong , Wu Mingyu , Ye Runping , Shi Depan , Li Mujin , Zhao Peng , Zhang Rongbin , Feng Gang
Published: September 2022

The purpose of this work is to develop a low-cost and high-performance catalyst for the selective catalytic hydrogenation of acetylene to ethylene. Non-precious metals Cu and Ni were selected as active ingredients for this study. Using ZSM-12 as a carrier, Cu-Ni bimetallic catalysts of CuNix/ZSM-12 (x = 5, 7, 9, 11) with different Ni/Cu ratios were prepared by incipient wetness impregnation method. The total Cu and Ni loading were 2 wt%. Under the optimal reaction conditions, the acetylene conversion was 100%, and the ethylene selectivity was 82.48%. The CuNi7/ZSM-12 prepared in this work exhibits good performance in the semi-hydrogenation of acetylene to ethylene with low cost and has potential for industrial application.
Magnetically Recoverable Biomass-Derived Carbon-Aerogel Supported ZnO (ZnO/MNC) Composites for the Photodegradation of Methylene Blue
Authors: Ngullie Renathung C. , Bhuvaneswari K. , Shanmugam Paramasivam , Boonyuen Supakorn , Smith Siwaporn Meejoo , Sathishkumar Munusamy
Published: September 2022

Hydrothermally assisted magnetic ZnO/Carbon nanocomposites were prepared using the selective biowaste of pomelo orange. Initially, the carbon aerogel (CA) was prepared hydrothermally followed by a freeze-drying method. Furthermore, the iron oxide nanoparticles were deposited onto the surface of carbon using the co-precipitation method and we obtained magnetic carbon nanocomposite, i.e., Fe3O4/C (MNC). Moreover, the ZnO photocatalysts were incorporated onto the surface of MNC composites using a hydrothermal process, and we obtained ZnO/MNC composites. The ZnO/MNC (55%), ZnO/MNC (65%) and ZnO/MNC (75%) composites were prepared by a similar experimental method in order to change the weight ratio of ZnO NPs. Using a similar synthetic procedure, the standard ZnO and Fe3O4 nanoparticles were prepared without the addition of CA. The experimental results were derived from several analytical techniques, such as: X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman and diffuse reflectance spectroscopy (DRS-UV). The synthesized carbon, ZnO, Fe3O4, ZnO/MNC (55%), ZnO/MNC (65%) and ZnO/MNC (75%) composites were examined through the photocatalytic degradation of methylene blue (MB) under visible-light irradiation (VLI). The obtained results revealed that the composites were more active than carbon, ZnO and Fe3O4. In particular, the ZnO/MNC (75%) composites showed more activity than the rest of the composites. Furthermore, the recycling abilities of the prepared ZnO/MNC (75%) composites were examined through the degradation of MB under identical conditions and the activity remained constant up to the fifth cycle. The synthetic procedure and practical applications proposed here can be used in chemical industries, biomedical fields and energy applications.
Emerging Roles of miRNA, lncRNA, circRNA, and Their Cross-Talk in Pituitary Adenoma
Authors: Wu Wentao , Cao Lei , Jia Yanfei , Xiao Youchao , Zhang Xu , Gui Songbai
Published: September 2022

Pituitary adenoma (PA) is a common intracranial tumor without specific biomarkers for diagnosis and treatment. Non-coding RNAs (ncRNAs), including microRNAs (miRNA), long non-coding RNA (lncRNA), and circular RNA (circRNA), regulate a variety of cellular processes, such as cell proliferation, differentiation, and apoptosis. Increasing studies have shown that the dysregulation of ncRNAs, especially the cross-talk between lncRNA/circRNA and miRNA, is related to the pathogenesis, diagnosis, and prognosis of PA. Therefore, ncRNAs can be considered as promising biomarkers for PA. In this review, we summarize the roles of ncRNAs from different specimens (i.e., tissues, biofluids, cells, and exosomes) in multiple subtypes of PA and highlight important advances in understanding the contribution of the cross-talk between ncRNAs (e.g., competing endogenous RNAs) to PA disease.