bluuebunny/crossref_metadata_2025 huggingface dataset:
Bioinformatics approach for structure modeling, vaccine design, and molecular docking of Brucella candidate proteins BvrR, OMP25, and OMP31
Authors: Elrashedy Alyaa , Nayel Mohamed , Salama Akram , Salama Mohammed M. , Hasan Mohamed E.
Published: May 2024

Brucellosis is a zoonotic disease with significant economic and healthcare costs. Despite the eradication efforts, the disease persists. Vaccines prevent disease in animals while antibiotics cure humans with limitations. This study aims to design vaccines and drugs for brucellosis in animals and humans, using protein modeling, epitope prediction, and molecular docking of the target proteins (BvrR, OMP25, and OMP31). Tertiary structure models of three target proteins were constructed and assessed using RMSD, TM-score, C-score, Z-score, and ERRAT. The best models selected from AlphaFold and I-TASSER due to their superior performance according to CASP 12 – CASP 15 were chosen for further analysis. The motif analysis of best models using MotifFinder revealed two, five, and five protein binding motifs, however, the Motif Scan identified seven, six, and eight Post-Translational Modification sites (PTMs) in the BvrR, OMP25, and OMP31 proteins, respectively. Dominant B cell epitopes were predicted at (44–63, 85–93, 126–137, 193–205, and 208–237), (26–46, 52–71, 98–114, 142–155, and 183–200), and (29–45, 58–82, 119–142, 177–198, and 222–251) for the three target proteins. Additionally, cytotoxic T lymphocyte epitopes were detected at (173–181, 189–197, and 202–210), (61–69, 91–99, 159–167, and 181–189), and (3–11, 24–32, 167–175, and 216–224), while T helper lymphocyte epitopes were displayed at (39–53, 57–65, 150–158, 163–171), (79–87, 95–108, 115–123, 128–142, and 189–197), and (39–47, 109–123, 216–224, and 245–253), for the respective target protein. Furthermore, structure-based virtual screening of the ZINC and DrugBank databases using the docking MOE program was followed by ADMET analysis. The best five compounds of the ZINC database revealed docking scores ranged from (− 16.8744 to − 15.1922), (− 16.0424 to − 14.1645), and (− 14.7566 to − 13.3222) for the BvrR, OMP25, and OMP31, respectively. These compounds had good ADMET parameters and no cytotoxicity, while DrugBank compounds didn't meet Lipinski's rule criteria. Therefore, the five selected compounds from the ZINC20 databases may fulfill the pharmacokinetics and could be considered lead molecules for potentially inhibiting Brucella’s proteins.
Diversity of Wolbachia infections in Sri Lankan mosquitoes with a new record of Wolbachia Supergroup B infecting Aedes aegypti vector populations
Authors: Wijegunawardana N. D. A. D. , Gunawardene Y. I. N. Silva , Abeyewickreme W. , Chandrasena T. G. A. N. , Thayanukul P. , Kittayapong P.
Published: May 2024

Wolbachiabacteria are common endosymbionts of insects and have recently been applied for controlling arboviral vectors, especiallyAedes aegyptimosquito populations. However, several medically important mosquito species in Sri Lanka were present with limited information for theWolbachiainfection status. Therefore, the screening ofWolbachiain indigenous mosquitoes is required prior to a successful application ofWolbachia-based vector control strategy. In this study, screening of 78 mosquito species collected from various parts of the country revealed that 13 species were positive forWolbachiainfection, giving ~ 17% infection frequency ofWolbachiaamong the Sri Lankan mosquitoes. TwelveWolbachia-positive mosquito species were selected for downstreamWolbachiastrain genotyping using Multi Locus Sequencing Type (MLST),wspgene, and16S rRNAgene-based approaches. Results showed that theseWolbachiastrains clustered together with the presentWolbachiaphylogeny of world mosquito populations with some variations. Almost 90% of the mosquito populations were infected with supergroup B while the remaining were infected with supergroup A. A new record ofWolbachiasupergroup B infection inAe. aegypti, the main vectors of dengue, was highlighted. This finding was further confirmed by real-time qPCR, revealingWolbachiadensity variations betweenAe. aegyptiandAe. albopictus(p = 0.001), and between males and females (p < 0.05). The evidence of natural Wolbachia infections in Ae. aegypti populations in Sri Lanka is an extremely rare incident that has the potential to be used for arboviral vector control.
Systematic review and meta-analysis: proton pump inhibitors slightly decrease the severity of chronic cough
Authors: Floria Diana-Elena , Obeidat Mahmoud , Kávási Sarolta Beáta , Teutsch Brigitta , Veres Dániel Sándor , Hagymási Krisztina , Hegyi Péter , Drug Vasile-Liviu , Erőss Bálint
Published: May 2024

The Montreal consensus recognizes chronic cough as an extra-esophageal manifestation of gastroesophageal reflux disease. We performed a meta-analysis to assess the effects of acid-suppressive medications in adults with non-specific chronic cough. The protocol was registered on PROSPERO (CRD42022368769). Placebo-controlled randomized trials evaluating the impact of acid-suppressive medications on persistent cough were included. The systematic search was performed on the 1st of November 2022 in three databases. A random-effects model was used for the calculations. The effect size was the standardized mean difference (SMD) with 95% confidence interval (CI). A total number of 11 double-blinded placebo-controlled randomized trials were included in the meta-analysis. Data showed that compared to placebo, PPIs decreased the severity of cough (SMD 0.33; CI 0.05; 0.61). Therapeutic response was not different in patients with non-specific chronic cough only, compared to those with laryngopharyngeal reflux. Prolonged treatment durations did not result in greater symptomatic improvement, with SMD 0.33 (CI − 0.22; 0.88), 0.31 (CI − 1.74; 2.35), 0.32 (CI − 0.29; 0.93) and 0.34 (CI − 0.16; 0.85), following 4, 6, 8 and 12 weeks of treatment, respectively. The pooled analysis of the improvement in quality of life with PPIs found an SMD of 0.39 (CI − 0.51; 1.29). PPIs mildly decrease the severity of non-specific chronic cough, irrespective of treatment duration.
Analysis of Soret and Dufour effects on radiative heat transfer in hybrid bioconvective flow of carbon nanotubes
Authors: Hussain Azad , Raiz Saira , Hassan Ali , Hassan Ahmed M. , Karamti Hanen , Bognár Gabriella
Published: May 2024

Numerous heat transfer applications, such as heat exchangers, solar trough collectors, and fields including food processing, material research, and aerospace engineering, utilize hybrid nanofluids. Compared to conventional fluids, hybrid nanofluids exhibit significantly enhanced thermal conductivity. The aim of this work is to explore flow and heat transmission features under of magneto-hydrodynamic bioconvective flow of carbon nanotubes over the stretched surface with Dufour and Soret effects. Additionally, comparative dynamics of the carbon nanotubes (SWCMT − MWCNT/C2H6O2 with SWCMT − MWCNT/C2H6O2 − H2O) flow using the Prandtl fluid model in the presence of thermal radiation and motile microorganisms has been investigated. Novel feature Additionally, the focus is also to examine the presence of microorganisms in mixture base hybrid nanofluid. To examine heat transfer features of Prandtl hybrid nanofluid over the stretched surface convective heating is taken into consideration while modeling the boundary conditions. Suitable similarity transform has been employed to convert dimensional flow governing equations into dimensionless equations and solution of the problem has been obtained using effective, accurate and time saving bvp-4c technique in MATLAB. Velocity, temperature, concentration and microorganisms profiles have been demonstrated graphically under varying impact of various dimensionless parameters such as inclined magnetization, mixed convection, Dufour effect, Soret effect, thermal radiation effect, and bioconvection lewis number. It has been observed that raising values of magnetization (0.5 ≤ M ≤ 4), mixed convection (0.01 ≤ λ ≤ 0.05) and inclination angle (0° ≤ α ≤ 180°) enhance fluid motion rapidly in Ethylene glycol based Prandtl hybrid nanofluid (SWCMT − MWCNT/C2H6O2) when compared with mixture base working fluid of carbon nanotubes SWCMT − MWCNT/C2H6O2 − H2O). Raising thermal radiation (0.1 ≤ Rd ≤ 1.7) and Dufour number (0.1 ≤ Du ≤ 0.19) values improves temperature profile. Moreover, a good agreement has been found between the current outcome and existing literature for skin friction outcomes.
Prognostic value of neutrophil-to-lymphocyte ratio change in patients with locally advanced non-small cell lung cancer treated with thoracic radiotherapy
Authors: Yin Xiaoming , Chen Haijun , Sun Yunchuan , Xiao Li , Lu Hongling , Guo Wei , Yang Hongjuan , Zhou Jianxi , Fan Kui , Liang Wei
Published: May 2024

In prior investigations, a correlation was established between patient outcomes in locally advanced non-small cell lung cancer (LA-NSCLC) following thoracic irradiation and parameters, such as pre/post-treatment neutrophil-to-lymphocyte ratio (NLR) and NLR change (ΔNLR). However, these parameters could potentially be influenced by radiation-related variables, such as gross tumor volume (GTV). The primary aim of this study was to elucidate the factors impacting post-treatment NLR and ΔNLR and to further assess their prognostic relevance. In this retrospective study, a cohort of 188 LA-NSCLC patients who underwent thoracic radiation between 2012 and 2017 was assessed. The calculation of pre/post-treatment NLR involved the use of absolute neutrophil and lymphocyte counts. ΔNLR was defined as the difference between post- and pre-treatment NLR values. To assess the relationships between various variables and overall survival (OS), local progression-free survival (LPFS), and distant metastasis-free survival (DMFS), the Kaplan–Meier technique and Cox proportional hazards regression were employed. Additionally, Spearman’s rank correlation analysis was carried out to investigate correlations between the variables. The analysis revealed that both post-treatment NLR (r = 0.315, P < 0.001) and ΔNLR (r = 0.156, P = 0.032) were associated with GTV. However, OS, LPFS, and DMFS were not independently correlated with pre/post-treatment NLR. ΔNLR, on the other hand, exhibited independent associations with OS and DMFS (HR = 1.054, P = 0.020, and P = 0.046, respectively). Elevated ΔNLR values were linked to poorer OS (P = 0.023) and DMFS (P = 0.018) in the Kaplan–Meier analysis. Furthermore, when stratifying by GTV, a higher ΔNLR remained to be associated with worse OS and DMFS (P = 0.047 and P = 0.035, respectively) in the GTV ≤ 67.41 cm3 group, and in the GTV > 67.41 cm3 group (P = 0.028 and P = 0.042, respectively), highlighting ΔNLR as the sole independent predictive factor for survival and metastasis, irrespective of GTV.
Assessment of the dynamics of inpatient health care delivery in Poland before and throughout the COVID-19 pandemic
Authors: Śliwczyński Andrzej , Jewczak Maciej , Furlepa Kamila , Gołębiak Izabela , Rzeźnicki Adam , Marczak Michał , Ptak-Chmielewska Aneta , Olszewski Paweł , Orlewska Katarzyna , Wierzba Waldemar , Nojszewska Ewelina , Orlewska Ewa
Published: May 2024

A situation of emergency involving the whole population introduces changes in the dynamics of the health services that are provided. The magnitude of these shifts should be also linked to the medical speciality within which the health benefits are delivered. The aim of the paper was to identify changes in tendencies in inpatient medical service delivery during the COVID-19 pandemic by medical specialties. On the basis of a database extracted for in-patient treatment received from the public payer, a retrospective analysis was carried out. Comparing the values of the dynamics of the services provided in each medical speciality, the period before the COVID-19 pandemic was collated to the years of the pandemic (2020–2021). In the period before COVID-19, positive patient dynamics were observed in more than half of the specialities. Between 2020 and 2021, virtually all specialties reversed the trend and negative dynamics were recorded. The dynamics in 2021 indicate a process of return to the values from 2015 to 2019. Emergency situation has affected the dynamics of healthcare provision in different specialities to various extent. The most resistant to the negative impulses of the state of emergency were the areas that are strictly organisationally and financially defined (e.g. the group of “therapeutic and drug programmes”).
Extremely compact sources (ECS): a new potential field filtering method
Authors: Maiolino Marco , Florio Giovanni , Fedi Maurizio
Published: May 2024

We present a new filtering method for potential fields, based on modelling the fields in terms of very compact solutions, i.e., the sources are expected to occupy the smallest allowable volume in the source domain. The selected solutions, which we call “Extremely Compact Sources” (ECS) form a sort of atomized model, which still satisfies the non-unique inverse problem of gravity and magnetic fields. The ECS model is not only characterized by sparsity, but also by large values of the physical property (density or magnetic susceptibility). The sparse nature of the model allows for the definition of a highly localized filter, which can be obtained by simply specifying the atoms to be selected in a given area. This feature allows managing tasks normally impossible with traditional filters, such as the separation of interfering anomalies having a similar wavenumber content. In addition, the procedure can perform a very effective regional/residual separation. We demonstrate the method on synthetic cases and apply it in the real case of gravity data of Campi Flegrei volcanic area (Italy), where we use the ECS filtering to isolate the gravity effect of the Mount Olibano dome.
A novel BAG5 variant impairs the ER stress response pathway, causing dilated cardiomyopathy and arrhythmia
Authors: Wongong Rutairat , Kijtawornrat Anusak , Srichomthong Chalurmpon , Tongkobpeth Siraprapa , Od-Ek Phichittra , Assawapitaksakul Adjima , Caengprasath Natarin , Khongphatthanayothin Apichai , Porntaveetus Thantrira , Shotelersuk Vorasuk
Published: May 2024

Pathogenic BAG5 variants recently linked to dilated cardiomyopathy (DCM) prompt further investigation into phenotypic, mutational, and pathomechanistic aspects. We explored the clinical and molecular characteristics of DCM associated with BAG5 variants, uncovering the consistently severe manifestations of the disease and its impact on the endoplasmic reticulum (ER) stress response. The analysis involved three siblings affected by DCM and arrhythmia, along with their four unaffected siblings, their unaffected father, and their mother who exhibited arrhythmia. The parents were consanguineous. Exome and Sanger sequencing identified a novel BAG5 variant, c.444_445delGA (p.Lys149AsnfsTer6), homozygous in affected siblings and heterozygous in parents and unaffected siblings. We generated heterozygous and homozygous Bag5 point mutant knock-in (KI) mice and evaluated cardiac pathophysiology under stress conditions, including tunicamycin (TN) administration. Bag5−/− mice displayed no abnormalities up to 12 months old and showed no anomalies during an exercise stress test. However, following TN injection, Bag5−/− mice exhibited significantly reduced left ventricular fractional shortening (LVFS) and ejection fraction (LVEF). Their cardiac tissues exhibited a notable increase in apoptotic cells, despite non-distinctive changes in CHOP and GRP78 levels. Interestingly, only Bag5 KI male mice demonstrated arrhythmia, which was more pronounced in Bag5−/− than in Bag5+/−males. Here, our study reveals a novel BAG5 mutation causing DCM by impairing the ER stress response, with observed sex-specific arrhythmia differences.
Automated thorax disease diagnosis using multi-branch residual attention network
Authors: Li Dongfang , Huo Hua , Jiao Shupei , Sun Xiaowei , Chen Shuya
Published: May 2024

Chest X-ray (CXR) is an extensively utilized radiological modality for supporting the diagnosis of chest diseases. However, existing research approaches suffer from limitations in effectively integrating multi-scale CXR image features and are also hindered by imbalanced datasets. Therefore, there is a pressing need for further advancement in computer-aided diagnosis (CAD) of thoracic diseases. To tackle these challenges, we propose a multi-branch residual attention network (MBRANet) for thoracic disease diagnosis. MBRANet comprises three components. Firstly, to address the issue of inadequate extraction of spatial and positional information by the convolutional layer, a novel residual structure incorporating a coordinate attention (CA) module is proposed to extract features at multiple scales. Next, based on the concept of a Feature Pyramid Network (FPN), we perform multi-scale feature fusion in the following manner. Thirdly, we propose a novel Multi-Branch Feature Classifier (MFC) approach, which leverages the class-specific residual attention (CSRA) module for classification instead of relying solely on the fully connected layer. In addition, the designed BCEWithLabelSmoothing loss function improves the generalization ability and mitigates the problem of class imbalance by introducing a smoothing factor. We evaluated MBRANet on the ChestX-Ray14, CheXpert, MIMIC-CXR, and IU X-Ray datasets and achieved average AUCs of 0.841, 0.895, 0.805, and 0.745, respectively. Our method outperformed state-of-the-art baselines on these benchmark datasets.
Effect of high temperature on mechanical properties of lithium slag concrete
Authors: Liang Jiongfeng , Zou Wanjie , Tian Yongliang , Wang Caisen , Li Wei
Published: May 2024

As the main gel material of concrete, cement is used in an astonishing amount every year in the construction industry. However, a large amount of CO2 is emitted into the atmosphere while producing cement. Therefore, it is the general trend to look for substitutes for cement and develop new green concrete. Lithium slag (LS) is the industrial waste discharged from lithium salt plants. Through testing, it is found that the chemical composition of LS has a high degree of coincidence with ordinary Portland cement (OPC) Therefore, LS can be incorporated into concrete as supplementary cementations material (SCM) to prepare lithium slag concrete (LSC). The pollution of the natural environment caused by a large number of piled-up and landfilled LS is immeasurable. Consuming and using LS in large quantities and with high efficiency not only eliminates the pollution of lithium slag to the natural environment, but also helps to reduce the amount of cement used in green concrete and truly reuse waste resources. In order to study the mechanical properties of post-heated LSC, the test were carried out for LSC specimens after high-temperature. The main influence factors were considered, including the temperatures of 20℃, 100 ℃, 300 ℃, 500 ℃ and 700 ℃, the contents of lithium slag in LSC of 0%, 10%, 20% and 30%, cooling method of LSC after exposure high temperature. The results showed that the mechanical properties of LS concrete specimens were slightly improved at 100 ℃, and when the temperature was 300 ℃ or higher, the damage to the specimens was huge and irreversible. An appropriate amount of LS (20% lithium slag content) could improve the strength of LSC. This paper also studied the relationship between lithium slag content and strengths of LS concrete. The research results show that adding an appropriate amount of LS to concrete improves the mechanical properties of concrete. When the LS replacement rate is 20%, the mass loss rate of LSC after different high temperature treatments was the minimum. The cubic compressive strength, axial compressive strength, and flexural strength of specimens with 20% LS substitution can be increased by 8.16%, 8.33%, and 13.46% after high temperature. The cubic compressive strength, axial compressive strength, and flexural strength of specimens with 20% LS substitution can be increased by 8.16%, 8.33%, and 13.46% after high temperature.
The study on spatial distribution of water ecological environment carrying capacity during extreme drought conditions
Authors: Zhou Yang , Gui Yingying , Zhou Qiang , Li Li , Chen Miaomiao , Liu Yuling
Published: May 2024

Due to global warming and the disturbance of the interannual variability of precipitation, the frequency of extreme drought events has increased. The impact of global climate change on water resources is becoming increasingly apparent, then it is particularly necessary to explore the carrying capacity of water ecological environment under extreme drought conditions, which can guarantee the ecological water security in river basins. This study takes the Guanzhong area of the Wei River Basin as an example, calculating the water environment carrying capacity of 40 areas in the Weihe Guanzhong area in different levels of years under extreme drought conditions by comprehensive evaluation model of carrying capacity and using geographic information system GIS to display the spatial distribution of water environment carrying capacity in 40 regions. According to the results of the spatial distribution of water environmental bearing capacity, four different schemes are designed to improve the bearing capacity. The first plan reduces the industrial water consumption and irrigation quota by 5%, the second plan increases the industrial water and sewage treatment rate on this basis. the third plan further improves the development and utilization rate of surface and groundwater, and the fourth plan, on the basis of the first three plans, supplies 600 million cubic meters of industrial and agricultural water to Guanzhong region. Through comparative analysis, without taking any measures, under the extreme drought conditions, the water environment carrying capacity of the 40 areas in Guanzhong is all in an unbearable state. Overall, plan 4 has the most significant improvement in the water environment-carrying capacity, especially the Dong zhuang Reservoir of the Jing River which has played a very important role in enhancing the water ecological environment carrying capacity of the downstream water of the Wei River.
Identification and clinical validation of diverse cell-death patterns-associated prognostic features among low-grade gliomas
Authors: Yang Wenyong , Yu Hui , Lei Qingqiang , Pu Chunlan , Guo Yuanbiao , Lin Liangbin
Published: May 2024

Low-grade glioma (LGG) is heterogeneous at biological and transcriptomic levels, and it is still controversial for the definition and typing of LGG. Therefore, there is an urgent need for specific and practical molecular signatures for accurate diagnosis, individualized therapy, and prognostic evaluation of LGG. Cell death is essential for maintaining homeostasis, developing and preventing hyperproliferative malignancies. Based on diverse programmed cell death (PCD) related genes and prognostic characteristics of LGG, this study constructed a model to explore the mechanism and treatment strategies for LGG cell metastasis and invasion. We screened 1161 genes associated with PCD and divided 512 LGG samples into C1 and C2 subtypes by consistent cluster analysis. We analyzed the two subtypes' differentially expressed genes (DEGs) and performed functional enrichment analysis. Using R packages such as ESTIMATE, CIBERSOTR, and MCPcounter, we assessed immune cell scores for both subtypes. Compared with C1, the C2 subtype has a poor prognosis and a higher immune score, and patients in the C2 subtype are more strongly associated with tumor progression. LASSO and COX regression analysis screened four characteristic genes (CLU, FHL3, GIMAP2, and HVCN1). Using data sets from different platforms to validate the four-gene feature, we found that the expression and prognostic correlation of the four-gene feature had a high degree of stability, showing stable predictive effects. Besides, we found downregulation of CLU, FHL3, and GIMAP2 significantly impairs the growth, migration, and invasive potential of LGG cells. Take together, the four-gene feature constructed based on PCD-related genes provides valuable information for further study of the pathogenesis and clinical treatment of LGG.
Farmer typology and drivers of agricultural mechanization use in Haiti
Authors: Paul Bénédique , Régis Jude
Published: May 2024

Agricultural mechanization is recognized as an important technology to increase agricultural productivity, face labor shortages, and reduce post-harvest loss. However, variations among farms’ characteristics and agricultural production systems suggest adopting a targeted strategy in mechanization programs for farmers. This research aimed to answer the following questions in the particular case of Haiti: are there different types of smallholder farmers in terms of mechanization use and socio-economic characteristics? What types of mechanization are used by farmers, and what drives their use among different types of farmers? What are the different types of farms in terms of mechanization use? We used typology construction methodology (principal component analysis (PCA) and hierarchical cluster analysis (HCA)) for a sample of 637 farmers and have identified four different clusters of farmers according to the characteristics of the farms they managed: “Little rain-fed farms” (cluster 1), “Little lowlands farms” (cluster 2), “Medium-sized farms in irrigated plains” (cluster 3), and “Large fragmented mountain farms”. Farms in cluster 3 were those who used more agricultural mechanization, and the results of multinomial logistic regression (MNLR) model revealed that the significant drivers of this use were location, access to credit and low food security status. Mechanization use of farms in clusters 1 and 4 was distinctively driven by saving behavior and off-farm income, respectively. In the pooled sample, the drivers of mechanization were: regions or location, age of the farmers, irrigation, livestock, access to credit, off-farm income and food security status. This study contributes to the literature by testing new drivers of agricultural mechanization such as food security status, and off-farm income. The findings can be used to design appropriate mechanization strategies to increase productivity and face labor price/scarcity challenges. They suggest that mechanization policies should focus on agricultural equipment that are adapted to the specificities of the production systems of each farm type, and strengthen access to credit. Otherwise, mechanization will be predominantly used only in irrigated lowlands.
Deep-learning segmentation to select liver parenchyma for categorizing hepatic steatosis on multinational chest CT
Authors: Zhang Zhongyi , Li Guixia , Wang Ziqiang , Xia Feng , Zhao Ning , Nie Huibin , Ye Zezhong , Lin Joshua S. , Hui Yiyi , Liu Xiangchun
Published: May 2024

Unenhanced CT scans exhibit high specificity in detecting moderate-to-severe hepatic steatosis. Even though many CTs are scanned from health screening and various diagnostic contexts, their potential for hepatic steatosis detection has largely remained unexplored. The accuracy of previous methodologies has been limited by the inclusion of non-parenchymal liver regions. To overcome this limitation, we present a novel deep-learning (DL) based method tailored for the automatic selection of parenchymal portions in CT images. This innovative method automatically delineates circular regions for effectively detecting hepatic steatosis. We use 1,014 multinational CT images to develop a DL model for segmenting liver and selecting the parenchymal regions. The results demonstrate outstanding performance in both tasks. By excluding non-parenchymal portions, our DL-based method surpasses previous limitations, achieving radiologist-level accuracy in liver attenuation measurements and hepatic steatosis detection. To ensure the reproducibility, we have openly shared 1014 annotated CT images and the DL system codes. Our novel research contributes to the refinement the automated detection methodologies of hepatic steatosis on CT images, enhancing the accuracy and efficiency of healthcare screening processes.
A wearable sensor and machine learning estimate step length in older adults and patients with neurological disorders
Authors: Zadka Assaf , Rabin Neta , Gazit Eran , Mirelman Anat , Nieuwboer Alice , Rochester Lynn , Del Din Silvia , Pelosin Elisa , Avanzino Laura , Bloem Bastiaan R. , Della Croce Ugo , Cereatti Andrea , Hausdorff Jeffrey M.
Published: May 2024

Step length is an important diagnostic and prognostic measure of health and disease. Wearable devices can estimate step length continuously (e.g., in clinic or real-world settings), however, the accuracy of current estimation methods is not yet optimal. We developed machine-learning models to estimate step length based on data derived from a single lower-back inertial measurement unit worn by 472 young and older adults with different neurological conditions, including Parkinson’s disease and healthy controls. Studying more than 80,000 steps, the best model showed high accuracy for a single step (root mean square error, RMSE = 6.08 cm, ICC(2,1) = 0.89) and higher accuracy when averaged over ten consecutive steps (RMSE = 4.79 cm, ICC(2,1) = 0.93), successfully reaching the predefined goal of an RMSE below 5 cm (often considered the minimal-clinically-important-difference). Combining machine-learning with a single, wearable sensor generates accurate step length measures, even in patients with neurologic disease. Additional research may be needed to further reduce the errors in certain conditions.
Genome of the endangered eastern quoll (Dasyurus viverrinus) reveals signatures of historical decline and pelage color evolution
Authors: Hartley Gabrielle A. , Frankenberg Stephen R. , Robinson Natasha M. , MacDonald Anna J. , Hamede Rodrigo K. , Burridge Christopher P. , Jones Menna E. , Faulkner Tim , Shute Hayley , Rose Karrie , Brewster Rob , O’Neill Rachel J. , Renfree Marilyn B. , Pask Andrew J. , Feigin Charles Y.
Published: May 2024

The eastern quoll (Dasyurus viverrinus) is an endangered marsupial native to Australia. Since the extirpation of its mainland populations in the 20th century, wild eastern quolls have been restricted to two islands at the southern end of their historical range. Eastern quolls are the subject of captive breeding programs and attempts have been made to re-establish a population in mainland Australia. However, few resources currently exist to guide the genetic management of this species. Here, we generated a reference genome for the eastern quoll with gene annotations supported by multi-tissue transcriptomes. Our assembly is among the most complete marsupial genomes currently available. Using this assembly, we infer the species’ demographic history, identifying potential evidence of a long-term decline beginning in the late Pleistocene. Finally, we identify a deletion at the ASIP locus that likely underpins pelage color differences between the eastern quoll and the closely related Tasmanian devil (Sarcophilus harrisii).
Coupling thermotolerance and high production of recombinant protein by CYR1N1546K mutation via cAMP signaling cascades
Authors: Ren Haiyan , Lan Qing , Zhou Shihao , Lyu Yilin , Yu Yao , Zhou Jungang , Mo Wenjuan , Lu Hong
Published: May 2024

In recombinant protein-producing yeast strains, cells experience high production-related stresses similar to high temperatures. It is possible to increase recombinant protein production by enhancing thermotolerance, but few studies have focused on this topic. Here we aim to identify cellular regulators that can simultaneously activate thermotolerance and high yield of recombinant protein. Through screening at 46 °C, a heat-resistant Kluyveromyces marxianus (K. marxianus) strain FDHY23 is isolated. It also exhibits enhanced recombinant protein productivity at both 30 °C and high temperatures. The CYR1N1546K mutation is identified as responsible for FDHY23’s improved phenotype, characterized by weakened adenylate cyclase activity and reduced cAMP production. Introducing this mutation into the wild-type strain greatly enhances both thermotolerance and recombinant protein yields. RNA-seq analysis reveals that under high temperature and recombinant protein production conditions, CYR1 mutation-induced reduction in cAMP levels can stimulate cells to improve its energy supply system and optimize material synthesis, meanwhile enhance stress resistance, based on the altered cAMP signaling cascades. Our study provides CYR1 mutation as a novel target to overcome the bottleneck in achieving high production of recombinant proteins under high temperature conditions, and also offers a convenient approach for high-throughput screening of recombinant proteins with high yields.
SpatialPrompt: spatially aware scalable and accurate tool for spot deconvolution and domain identification in spatial transcriptomics
Authors: Swain Asish Kumar , Pandit Vrushali , Sharma Jyoti , Yadav Pankaj
Published: May 2024

Efficiently mapping of cell types in situ remains a major challenge in spatial transcriptomics. Most spot deconvolution tools ignore spatial coordinate information and perform extremely slow on large datasets. Here, we introduce SpatialPrompt, a spatially aware and scalable tool for spot deconvolution and domain identification. SpatialPrompt integrates gene expression, spatial location, and single-cell RNA sequencing (scRNA-seq) dataset as reference to accurately infer cell-type proportions of spatial spots. SpatialPrompt uses non-negative ridge regression and graph neural network to efficiently capture local microenvironment information. Our extensive benchmarking analysis on Visium, Slide-seq, and MERFISH datasets demonstrated superior performance of SpatialPrompt over 15 existing tools. On mouse hippocampus dataset, SpatialPrompt achieves spot deconvolution and domain identification within 2 minutes for 50,000 spots. Overall, domain identification using SpatialPrompt was 44 to 150 times faster than existing methods. We build a database housing 40 plus curated scRNA-seq datasets for seamless integration with SpatialPrompt for spot deconvolution.
Eco-friendly and biocompatible gelatin plasmonic filters for UV-vis-NIR light
Authors: Becerril-Castro I. Brian , Negrín-Montecelo Yoel , Moreno Josep , Correa-Duarte Miguel A. , Giannini Vincenzo , Alvarez-Puebla Ramón A.
Published: May 2024

The quest for environmentally sustainable materials spans many fields and applications including optical materials. Here, we present the development of light filters using a gelatin-based nanocomposite. Owing to the plasmonic properties of metallic nanoparticles (NPs), strong light-matter interactions, these filters can be customized across the UV-Visible-NIR spectrum. The filters are designed for modular use, allowing for the addition or removal of desired spectral ranges. Moreover, the nanocomposites are composed of biodegradable and biocompatible materials which highlight the intersection of chemistry and ecological awareness for the exploration of new eco-friendly alternatives. These plasmonic gelatin-based filters block light due to the Localized Surface Plasmon Resonance (LSPR) of the NPs and can be tailored to meet various requirements, akin to a diner selecting options from a menu. This approach is inspired by culinary techniques, and we anticipate it will stimulate further exploration of biomaterials for applications in optics, materials science or electronics.
In situ observation and reduction of hot-cracks in laser additive manufacturing
Authors: Chen Yunhui , Zhang Duyao , O’Toole Patrick , Qiu Dong , Seibold Marc , Schricker Klaus. , Bergmann Jean-Pierre , Rack Alexander , Easton Mark
Published: May 2024

Cracking during Laser Additive Manufacturing is a problem for many higher-strength aluminium alloys, including AA6061. Here, we used a pulsed laser with ramp-down power modulation to improve the cracking resistance by about 50% compared to the use of a rectangular pulsed laser. Using synchrotron in situ X-ray imaging at 100,000 images s−1, ground truth data was obtained about changes in melt pool geometry, solidification rate, and thermal gradients were calculated. An analytical hot cracking model was developed to show that these changes lead to a decreased hot tear susceptibility. Therefore, laser pulse modulation can be an effective tool to reduce crack susceptibility of alloys. More fundamentally, the results demonstrate that modifying thermal conditions provides a pathway to crack elimination in LAM and the model established in our study sets the foundation for further complex laser manipulation in modifying the printability and resulting mechanical properties of hard-to-process alloys in Laser Additive Manufacturing.
Trifunctional fatty acid derivatives: the impact of diazirine placement
Authors: Farley Scotland E. , Hashimoto Ryu , Evangelista Judah , Stein Frank , Haberkant Per , Kikuchi Kazuya , Tafesse Fikadu G. , Schultz Carsten
Published: May 2024

Functionalized lipid probes are a critical new tool to interrogate the function of individual lipid species, but the structural parameters that constrain their utility have not been thoroughly described.
D
4h H©K4H4−: a planar tetracoordinate hydrogen global minimum
Authors: Bai Li-Xia , Jin Yan-Xia , Guo Jin-Chang
Published: May 2024

The square-like planar tetracoordinate hydrogen global minimum H©K4H4− can be obtained by introducing one hydrogen anion into the K4H4 ring. One central 5c-2e and four outer 3c-2e σ bonds are responsible for its stability.
Unveiling the physical mechanisms driving delafossite crystal (ABX2) formation through interpretable machine learning
Authors: Xu Ning , Li Zheng , Fu Xiaolan , Hu Xiaojuan , Xu Wenwu , Han Zhong-Kang
Published: May 2024

A method integrating machine learning with first-principles calculations is employed to forecast the formation energy of delafossite crystals, facilitating the rapid identification of stable crystals.
Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)
Authors: Yuan Guo-Jun , Pan Xue-Wei , Gao Yan , Jiang You-Fang , Li Li , Ren Xiao-Ming
Published: May 2024

Supramolecular salts exhibit distinct crystal structures, phase transitions and dielectric properties, stemming from the compatibility between M+ (Na+, K+ and NH4+) radii and crown-ether ring sizes.
Structural identification of single boron-doped graphdiynes by computational XPS and NEXAFS spectroscopy
Authors: Li Hai-Bo , Zhang Jun-Rong , Song Xiu-Neng , Wang Chuan-Kui , Hua Weijie , Ma Yong
Published: May 2024

Boron-doped graphdiyne (B-GDY) material exhibits an excellent performance in electrocatalysis, ion transport, and energy storage.
Understanding the charge transfer dynamics in 3D–1D nanocomposites over solar driven synergistic selective valorization of lignocellulosic biomass: a new sustainable approach
Authors: Jaryal Arpna , Singh Ajit Kumar , Dhingra Shivali , Bhatt Himanshu , Sachdeva Manvi , Ghosh Hirendra N. , Indra Arindam , Kailasam Kamalakannan
Published: May 2024

An economical and sustainable approach for synergistic bio chemical production from non-edible biomass over redox photocatalyst deciphering the concept of biomass photo-refinery.
Modulating buried interface with a natural chemical VB2 for TiO2-based planar perovskite solar cells
Authors: Zhao Zhenxiao , Zhai Mengde , Chen Cheng , Wang Haoxin , Cheng Ming
Published: May 2024

A natural chemical, riboflavin (VB2), was introduced to modify the TiO2/perovskite interface in planar PSC, improving the efficiency from 19.2% to 21.50%.
One-step solvothermal synthesis of full-color fluorescent carbon dots for information encryption and anti-counterfeiting applications
Authors: Zhou Yi , Duan Hai-lin , Tan Ke-jun , Dong Lin
Published: May 2024

Full-color fluorescent carbon dots covering the entire visible spectrum were obtained by a one-step solvothermal method.
Photo-induced glycosylation using the edible polyphenol curcumin
Authors: Goi Satomi , Shigeta Hidenari , Takahashi Daisuke , Toshima Kazunobu
Published: May 2024

Edible polyphenol, curcumin, acts as an organo-photoacid. The glycosylations of glycosyl trichloroacetimidates and alcohols using curcumin proceeded upon visible light irradiation to provide the corresponding glycosides in high yields.
Synthetic approaches of carbohydrate based self-assembling systems
Authors: Wang Guijun , Chen Anji , Aryal Pramod , Bietsch Jonathan
Published: May 2024

The synthesis of carbohydrate-derived self-assembling systems and the properties of the resulting stimulus-responsive materials via bottom-up approaches are reviewed.
Thermodynamic and kinetic analysis of the melting process of S-ketoprofen and lidocaine mixtures
Authors: Hasegawa Kanji , Ogawa Sara , Chatani Hitoshi , Kataoka Hikaru , Tsuchida Tomohiro , Goto Satoru
Published: May 2024

Thermodynamic and kinetic analyses of the melting process of S-ketoprofen/lidocaine mixtures were performed using DSC and FTIR instruments. The singular value decomposition (SVD) approach provides an advantage for the analyses.
A sunlight sensitive metal–organic framework film for the environment-friendly self-sterilization application
Authors: Hao Lingwan , Gao Jie , Han Xiaoli , Li Zexiang , Dong Yanhong , Sun Liwei , Zhou Lu , Ning Zhaocai , Zhao Jie , Jiang Rujian
Published: May 2024

This work provides a sunlight sensitive MOF film with the unique advantage of easy and superfast preparation, and environmentally-friendly self-sterilization, offering a potential approach for the long-term usage of disposable protective equipment.
Photo–thermo-catalytic hydrogen production by an interfacial reactor with potassium-doped polymeric carbon nitride/titanium nitride
Authors: Wang Dechao , Zhao Hang , Tu Jianglin , Zhu Xun , Ye Dingding , Yang Yang , Wang Hong , Chen Rong , Liao Qiang
Published: May 2024

An interfacial reactor with PPCN/TiN is developed for photo–thermo-catalytic hydrogen production.
Undelaminated multilayer MXenes for block thermoelectric generators
Authors: Du Zhangli , Deng Kaipeng , Wang Feng , Liu Xusheng , Jiang Binbin , Zhao Tao , Xie Wenke , Xiao Xu , Ding Tianpeng
Published: May 2024

Unintercalated MXenes have advantages in energy saving, cost, yield and stability compared to monolayer MXenes. An all-MXene based block type TE device with undelaminated MXenes was fabricated and used in wearable heat harvesting.
Eye-wearable Ti3C2Tx MXene-based micro-supercapacitor as a power unit for intraocular pressure applications
Authors: Liu Weijia , Du Zhijian , Duan Zhongyi , Liu Haiqing , Li La , Jiang Kai , Chen Di , Shen Guozhen
Published: May 2024

An eye-wearable Ti3C2Tx MXene-based micro-supercapacitor was fabricated on a soft hemispherical substrate, which can be used as an efficient power unit for intraocular pressure applications.
Influence of carbon sources on silicon oxides for lithium-ion batteries: a review
Authors: Ling Yang , Zeng Pan , Wang Bin , Zhang Liang , Wang Jionghui
Published: May 2024

Silicon oxides/carbon composites are classified based on the variation of carbon sources, and representative developments are systematically reviewed, providing a comprehensive perspective for the design and construction of SiOx/C composites.
Six metal cations in one double perovskite: exploring complexity of chloride elpasolites by high-throughput experimentation
Authors: Stroyuk Oleksandr , Raievska Oleksandra , Daum Manuel , Hauch Jens , Brabec Christoph J.
Published: May 2024

A family of ca. 350 double perovskites Cs2(Ag,Na)MIIICl6, MIII = Bi, Sb, In, Fe, with two or three alloyed MIII cations was produced by high-throughout robot-assisted synthesis revealing non-additive compositional dependences of spectral properties.
Low-voltage polymer monolayer transistors for high-gain unipolar and complementary logic inverters
Authors: Cheng Miao , Zhang Yanqin , Zheng Lei , Zhang Jianwei , Xie Yifan , Jin Qingqing , Tian Yue , Wang Jinyao , Xiao Hongmei , Dou Chunmeng , Yang Zhenzhong , Li Mengmeng , Li Ling , Liu Ming
Published: May 2024

Using thin AlOx as dielectrics, low-voltage polymer monolayer TFTs were attained with a SS of 86 mV dec−1. The resultant unipolar and complementary inverters exhibited high voltage gains of 251 V/V at VDD = −3 V and 841 V/V at VDD = 5 V.
Harmonic impedance optimization scheme for multi‐resonance systems to suppress resonance
Authors: Sun Xing , Lei Wanjun , Dai Yuqi , Deng Lizi , Zhang Xiaotong , Hu Linqiang , Liu Qian
Published: May 2024

Harmonic resonance is caused by harmonic source matching resonance frequency and presents the characteristics of decentralization and whole network in modern grids. The current resonance suppression methods mainly focus on reducing the harmonic source, and are suitable for single‐site and small‐scale grids. This paper presents a new method for suppressing parallel resonance at system level. The holistic harmonic resonance is suppressed by reducing the harmonic impedance. In addition, new resonances are prevented by weakening the coupling between resonance and non‐resonance frequencies. The resonance modal analysis and resonance frequency shift (RFS) are employed to optimize harmonic impedance. Simulation results indicate that the capacitance parameter has higher sensitivity and is theoretically more suitable for RFS. Considering the accuracy of modal frequency sensitivity, a variable‐limit genetic algorithm for iteration is proposed. The validity of the proposed method was verified using an IEEE 14‐bus test network.
High‐resolution 3D imaging by microwave photonic time division multiplexing‐multiple‐input‐multiple‐output radar with broadband digital beamforming
Authors: Zhou Yuewen , Zhang Fangzheng , Kong Jiayuan , Pan Shilong
Published: May 2024

A broadband microwave photonic time division multiplexing (TDM) multiple‐input‐multiple‐output (MIMO) radar is proposed in which photonic frequency quadrupling is adopted to generate broadband radar signals and photonic frequency mixing is implemented for de‐chirping processing of radar echoes. By utilising two radio frequency switches to control the signal transmission and reception, TDM‐MIMO mechanism is formed using a single microwave photonic radar transceiver. This microwave photonic TDM‐MIMO radar not only achieves high range resolution using broadband processing but also enables high angular resolution and forward‐looking imaging capability with low system complexity. Besides, a broadband digital beamforming (DBF) method is introduced to solve the broadband beam squint and broadening problems and implement near‐field correction. In the experiment, a microwave photonic TDM‐MIMO radar with an 8×8 T‐shape antenna array is established with a bandwidth of 8 GHz (18–26 GHz) in each channel. The range and angular resolutions are estimated to be ∼2 cm and ∼2°, respectively. Applying the broadband DBF method, high‐resolution 3D imaging of small targets is achieved with good focusing of targets and deep suppression of grating lobes and side lobes. Hence, the proposed microwave photonic TDM‐MIMO radar with broadband DBF provides a promising solution for high‐resolution 3D imaging.