bluuebunny/crossref_metadata_2025 huggingface dataset:
The role of SARS-CoV-2-mediated NF-κB activation in COVID-19 patients
Authors: Zhou Qiaoqiao , Zhang Lei , Dong Yanming , Wang Yuan , Zhang Bin , Zhou Shiyi , Huang Qing , Wu Tian , Chen Gongxuan
Published: October 2023

The SARS-CoV-2 pandemic, now in its third year, has had a profound impact on public health and economics all over the world. Different populations showed varied susceptibility to this virus and mortality after infection. Clinical and laboratory data revealed that the uncontrolled inflammatory response plays an important role in their poor outcome. Herein, we summarized the role of NF-κB activation during SARS-CoV-2 invasion and replication, particularly the angiotensin-converting enzyme 2 (ACE2)-mediated NF-κB activation. Then we summarized the COVID-19 drugs’ impact on NF-κB activation and their problems. A favorable prognosis is linked with timely treatment with NF-κB activation inhibitors, such as TNFα, IL-1β, and IL-6 monoclonal antibodies. However, further clinical researches are still required to clarify the time window, dosage of administration, contraindication, and potential side effects of these drugs, particularly for COVID-19 patients with hypertension, hyperglycemia, diabetes, or other chronic diseases.
Scalable genetic screening for regulatory circuits using compressed Perturb-seq
Authors: Yao Douglas , Binan Loic , Bezney Jon , Simonton Brooke , Freedman Jahanara , Frangieh Chris J. , Dey Kushal , Geiger-Schuller Kathryn , Eraslan Basak , Gusev Alexander , Regev Aviv , Cleary Brian
Published: October 2023

Pooled CRISPR screens with single-cell RNA sequencing readout (Perturb-seq) have emerged as a key technique in functional genomics, but they are limited in scale by cost and combinatorial complexity. In this study, we modified the design of Perturb-seq by incorporating algorithms applied to random, low-dimensional observations. Compressed Perturb-seq measures multiple random perturbations per cell or multiple cells per droplet and computationally decompresses these measurements by leveraging the sparse structure of regulatory circuits. Applied to 598 genes in the immune response to bacterial lipopolysaccharide, compressed Perturb-seq achieves the same accuracy as conventional Perturb-seq with an order of magnitude cost reduction and greater power to learn genetic interactions. We identified known and novel regulators of immune responses and uncovered evolutionarily constrained genes with downstream targets enriched for immune disease heritability, including many missed by existing genome-wide association studies. Our framework enables new scales of interrogation for a foundational method in functional genomics.
A comparative study of freeze-drying heat transfer in polymeric vials and glass vials
Authors: Sarmadi Morteza , Holmes Spencer , Agha Royal , Davenport Brandon , Weikart Christopher , Thompson T. N.
Published: October 2023

Implementation of polymeric vials for freeze-dried drug products has been practically non-existent because of unique moisture barrier and thermodynamic technical challenges. Hybrid vials, which combine the benefits of polymer and glass, have been shown to address the challenges of ordinary polymeric vials. Tackling thermodynamic challenges starts with a clear understanding of the heat transfer mechanism. To this end, multi-physics simulations and experimentation were used to compare the heat transfer between hybrid cyclic olefin polymer (COP) vials and borosilicate glass vials during freeze-drying. Parametric models were developed for hybrid COP and glass vials to systematically study the effect of five design parameters based on the arrangement of the vials on a tray inside a lyophilization chamber. Heat transfer in glass vials were dominated by heat conduction with the surrounding vapor, while hybrid COP vials were governed by conduction with the bottom shelf. Furthermore, hybrid COP vials exhibited more consistent heat flow rate and total heat transfer coefficient compared to glass vials, suggesting higher product quality as a result. The distance between adjacent vials and the drug product height were the most important parameters affecting heat transfer irrespective of vial type. Results indicated that hybrid COP vials can be filled to higher fill volumes with higher heat transfer and without the risk of breakage. Results of this study can help design innovative primary packaging systems for freeze drying or optimizing heat transfer for existing glass or hybrid COP vial systems regarding product consistency and drying time.
Establishment of the microstructure of porous materials and its relationship with effective mechanical properties
Authors: Chen Kangni , Qin Hongling , Ren Zhiying
Published: October 2023

In this study, a porous structure for a porous liquid storage medium is generated, and the homogenization theory based on displacement boundary conditions is used to predict the effective mechanical properties. The relationship between the porous material’s macroscopic mechanical properties and microstructure is next analyzed. In order to establish the relationship between the microstructure of porous materials and their macroscopic mechanical properties, assuming that the pores grow along the z direction, a method is proposed to generate 3D open-cell porous materials based on six design parameters (i.e., the number of pores, porosity, irregularity of pore distribution, the randomness of pore growth in the x and y directions, and randomness of pore size). Since the porosity of oil-bearing materials ranges from 20 to 30%, the porosity of the RVE (Representative Volume Element) was kept under control at about 25%, and the effect of the six design factors on the mechanical properties of the RVE was investigated. Utilizing SLA 3D printing technology, specimens were produced, and compression tests were used to show how useful the results of the numerical analysis were. The results demonstrated that after the number of RVE pores reaches 9, the numerical results have good repeatability. The irregularity of the initial pore distribution has little effect on the effective mechanical properties of the RVE. At the same time, the increase in the randomness of pore growth and the randomness of pore size increases the degree of weakening of the mechanical properties in the z-direction, while reducing the degree of weakening in the x and y directions, but the latter has a smaller impact. Furthermore, there is a superimposition effect of design parameters on the RVE.
The enhanced cytotoxicity on breast cancer cells by Tanshinone I-induced photodynamic effect
Authors: Fengchao Chen , Siya Zhang , Tongtong Yan , Hongquan Wang , Jie Li , Qiang Wang , Danish Subhan , Kun Li
Published: October 2023

Recently, natural photosensitizers, such as berberine, curcumin, riboflavin, and emodin, have received more and more attention in photodynamic therapy. Tanshinone I (TanI) is extracted from a traditional Chinese herb Danshen, and exhibits many physiological functions including antitumor. TanI is a photoactive phytocompounds, but no work was tried to investigate its potential photodynamic effect. This study evaluated the cytotoxicity induced by the photodynamic effect of TanI. The photochemical reactions of TanI were firstly investigated by laser flash photolysis. Then breast cancer cell line MDA-MB-231 was chosen as a model and the photodynamic effect of TanI on cancer cell was evaluated by MTT assay and flow cytometry. The results showed that TanI could be photoexcited by its UV–Vis absorption light to produce 3TanI* which was quickly quenched by O2. MTT assay showed that the photodynamic effect of TanI resulted in more obvious inhibitive effect on cell survival and cell migration. Besides, the photodynamic effect of TanI could induce cell apoptosis and necrosis, lead to cell cycle arrest in G2, increase intracellular ROS, and decrease the cellular Δψm. It can be concluded that the photodynamic effect of TanI can obviously enhance the cytotoxicity of TanI on MDA-MB-231 cells in vitro, which indicated that TanI might serve as a natural photosensitizer.
RNA modification regulator DDC in endometrial cancer affects the tumor microenvironment and patient prognosis
Authors: Zhao Huai , Shi Chuang , Zhao Guoguang , Liu Jiamin , Wang Xi , Liang Jie , Li Fangmei
Published: October 2023

Uterine corpus endometrial carcinoma (UCEC) is infiltrated by immune cells, which are involved in the growth and proliferation of malignant tumors and resistance to immunotherapy. This study suggested that RNA modification regulators played an important role in the development and prognosis of UCEC. Many studies confirmed that RNA modification played an essential role in tumor immune regulation, and abnormal RNA modification contributed to tumorigenesis and cancer progression. Based on the RNA modification regulatory factors, the UCEC samples from TCGA (The Cancer Genome Atlas) were classified into two clusters, namely Cluster A and Cluster B, using unsupervised consensus clustering. We obtained DEG (differentially expressed genes) between the two clusters, and constructed a risk model of RNA modification-related genes using DEGs. Cluster A had lower RNA modification regulatory factors, richer immune cell infiltration, and better prognosis. The differentially expressed genes between the two clusters were obtained, and these genes were used for modeling. This model divided patients with UCEC into two groups. The low-risk group had better immune infiltration, and the ROC (receiver operating characteristic) curve showed that this model had good predictive efficacy. The low-risk group had a better response to immunotherapy by immune checkpoint prediction. We obtained the key gene l-dopa decarboxylase (DDC) through the intersection of LASSO model genes and GEO dataset GSE17025. We evaluated the potential biological functions of DDC. The differences in the expression of DDC were verified by immunohistochemistry. We evaluated the relationship between DDC and immune cell infiltration and verified this difference using immunofluorescence. Cluster A with low expression of RNA modification regulators has better prognosis and richer immune cell infiltration, therefore, we believed that RNA modification regulators in UCEC were closely related to the tumor microenvironment. Also, the risk score could well predict the prognosis of patients and guide immunotherapy, which might benefit patients with UCEC.
Challenges of AI driven diagnosis of chest X-rays transmitted through smart phones: a case study in COVID-19
Authors: Antony Mariamma , Kakileti Siva Teja , Shah Rachit , Sahoo Sabyasachi , Bhattacharyya Chiranjib , Manjunath Geetha
Published: October 2023

Healthcare delivery during the initial days of outbreak of COVID-19 pandemic was badly impacted due to large number of severely infected patients posing an unprecedented global challenge. Although the importance of Chest X-rays (CXRs) in meeting this challenge has now been widely recognized, speedy diagnosis of CXRs remains an outstanding challenge because of fewer Radiologists. The exponential increase in Smart Phone ownership globally, including LMICs, provides an opportunity for exploring AI-driven diagnostic tools when provided with large volumes of CXRs transmitted through Smart Phones. However, the challenges associated with such systems have not been studied to the best of our knowledge. In this paper, we show that the predictions of AI-driven models on CXR images transmitted through Smart Phones via applications, such as , suffer both in terms of Predictability and Explainability, two key aspects of any automated Medical Diagnosis system. We find that several existing Deep learning based models exhibit prediction instability–disagreement between the prediction outcome of the original image and the transmitted image. Concomitantly we find that the explainability of the models deteriorate substantially, prediction on the transmitted CXR is often driven by features present outside the lung region, clearly a manifestation of Spurious Correlations. Our study reveals that there is significant compression of high-resolution CXR images, sometimes as high as 95%, and this could be the reason behind these two problems. Apart from demonstrating these problems, our main contribution is to show that Multi-Task learning (MTL) can serve as an effective bulwark against the aforementioned problems. We show that MTL models exhibit substantially more robustness, 40% over existing baselines. Explainability of such models, when measured by a saliency score dependent on out-of-lung features, also show a 35% improvement. The study is conducted on WaCXR dataset, a curated dataset of 6562 image pairs corresponding to original uncompressed and compressed CXR images. Keeping in mind that there are no previous datasets to study such problems, we open-source this data along with all implementations.
Plant mediated fabrication of silver nanoparticles, process optimization, and impact on tomato plant
Authors: Ansari Madeeha , Ahmed Shakil , Abbasi Asim , Khan Muhammad Tajammal , Subhan Mishal , Bukhari Najat A. , Hatamleh Ashraf Atef , Abdelsalam Nader R.
Published: October 2023

Nanotechnology is one of the fastest-growing markets, but developing eco-friendly products, their maximum production, stability, and higher yield is a challenge. In this study, silver nanoparticles were synthesized using an easily available resource, leaves extract of the Neem (Azadirachta indica) plant, as a reducing and capping agent, determined their effect on germination and growth of tomato plants. The maximum production of silver nanoparticles was noted at 70 °C after 3 h of reaction time while treating the 10 ml leaf extract of Neem plant with 10 ml of 1 mM silver nitrate. The impact of the extract preparation method and solvent type on the plant mediated fabrication of silver nanoparticles was also investigated. The UV-spectrophotometric analysis confirmed the synthesis of silver nanoparticles and showed an absorption spectrum within Δ420–440 nm range. The size of the fabricated silver nanoparticles was 22–30 nm. The functional groups such as ethylene, amide, carbonyl, methoxy, alcohol, and phenol attached to stabilize the nanoparticles were observed using the FTIR technique. SEM, EDX, and XRD analyses were performed to study the physiochemical characteristics of synthesized nanoparticles. Silver nanoparticles increased the germination rate of tomato seeds up to 70% while decreasing the mean germination time compared to the control. Silver nanoparticles applied at varying concentrations significantly increased the shoot length (25 to 80%), root length (10 to 60%), and fresh biomass (10 to 80%) biomass of the tomato plant. The production of total chlorophyll, carotenoid, flavonoids, soluble sugar, and protein was significantly increased in tomato plants treated with 5 and 10 ppm silver nanoparticles compared to the control. Green synthesized silver nanoparticles are cost-effective and nontoxic and can be applied in agriculture, biomedical, and other fields.
Hotspot movement of compound events on the Europe continent
Authors: Doshi Smit Chetan , Lohmann Gerrit , Ionita Monica
Published: October 2023

Climate indices are often used as a climate monitoring tool, allowing us to understand how the frequency, intensity, and duration of extreme weather events are changing over time. Here, based on complex statistical analysis we identify highly correlated significant pairs of compound events at the highest spatial resolution, on a monthly temporal scale across Europe. Continental-scale monthly analysis unleashes information on compound events such as high-risk zones, hotspots, monthly shifts of hotspots and trends, risk exposure to land cover and population, and identification of maximum increasing trends. While there are many studies on single or compound climate extremes there are only a few studies that addresses the relationship between pairs of hazards, the incorporation of bioclimatic indices, the determination of a grid best-fit copula approach, and the outlining relevance of this work of compound event risks with exposures. In this respect, here, using 27-bivariate and 10-trivariate copula models, we show that the different hazard pairs have high combined risks of indices related to radiation, temperature, evapotranspiration, bioclimatic-based indices, such as the universal thermal climate index, wind chill index, and heat index, mainly over the northern and eastern European countries. Furthermore, we show that over the last 7 decades, agricultural and coastal areas are highly exposed to the risks of defined hotspots of compound events. In some of the hotspots of compound events-identified by clusters, there is no monthly shifts of hotspots, leading to higher impacts when compounded. Future work needs to integrate the framework and process to identify other compound pairs.
The effect of dynamic versus static visualizations on acquisition of basketball game actions: a diurnal study
Authors: Rekik Ghazi , Jouira Ghada , Belkhir Yosra , Jarraya Mohamed , Kuo Cheng-Deng , Chen Yung-Sheng
Published: October 2023

This study aimed to examine the effect of time of day (TOD) on the acquisition of basketball game actions from dynamic and static visualizations in physical education students (novice practitioners). Participants were quasi-randomly assigned to three treatments (static pictures, enriched static-pictures, or video). Morning and late-afternoon sessions were conducted, involving study phases and immediate-recall tests [game comprehension (GC) test and game performance (GP) test]. Oral temperature (OT) and mood states (MS) were also measured. Compared to the morning, the results revealed that afternoon resulted in higher OT, higher negative MS (e.g., anxiety and fatigue), and lower positive MS (i.e., vigor) in all experimental conditions. Moreover, the results showed that: (a) GC and GP decreased throughout the day (regardless of treatments), (b) GC and GP were better with enriched static-pictures (with arrows) than with static pictures, at both TOD, and (c) the video resulted in better GC and GP than the two static presentations, at both TOD. This study (a) highlights the morning's superiority in the acquisition of motor skills from dynamic and static visualizations, due to mood disturbances and lower arousal levels, and (b) encourages basketball teachers to use video modeling by experts, particularly in the morning, for explaining tactical skills.
Investigating the atomic behavior of carbon nanotubes as nanopumps
Authors: Shahryari Mehran , Nazari-Golshan Akbar , Nourazar S. Salman , Abedi Mohsen
Published: October 2023

In this study, we utilized molecular dynamics (MD) simulations to investigate the nano pumping process of Carbon Nanotube (CNT) in an aqueous environment. In this research, an attempt has been made to investigate and analyze the pumping process of fullerene C20 and water molecules through a carbon nanotube that is externally stimulated by two oscillators. It should be noted that this nano pump is completely immersed in an aqueous environment and the inside and outside of the carbon nanotube is filled with water molecules. To simulate the aqueous environment with NaCl impurities and carbon structures, we employed the Universal Force Field and Tersoff interatomic potentials, respectively. The stability of the simulated structures was demonstrated through an equilibrium process, which was a result of the appropriate settings in our MD simulations. To describe the CNT nano pumping process, we analyzed the velocity and translational/rotational components of C20 kinetic energy over time steps. By decreasing the water impurity concentration from 0.50 to 0.075 mol/l, the nano pumping time varied from 10.98 to 10.11 ps, respectively. Additionally, optimization of the atomic wave producing in the nano pumping process led to a further decrease in pumping time to 10.01 ps. Finally, a 2.86% variation in calculated results was observed by changing the water MD simulation model from SPC to TIP4P.
Molluscum contagiosum presenting as periorbital abscess in immunocompetent children
Authors: Mor-Shaham Moran , Gutovitz Joel , Levinkron Oz , Krausz Judit , Briscoe Daniel
Published: October 2023

Molluscum contagiosum presenting as a periorbital region abscess is unusual. The virus generally causes a self-limiting localized disease in children. Presentation as an abscess has been reported mainly in immunocompromised patients. We performed a retrospective study of ten children treated for Molluscum contagiosum infection presenting as periorbital abscess. Data investigated included age, immunocompetence, systemic antibiotic treatment, clinical findings, and histopathology. All children were immunocompetent. Bacterial cultures taken in six of the ten children were positive in two. Seven patients received oral antibiotics before presentation but required IV antibiotics on admission. One patient received IV antibiotics only. All antibiotic treatment had very limited effect. Two patients had no antibiotic treatment. CT imaging in one case where orbital cellulitis was suspected showed no significant intraorbital findings with anterior involvement only. Nine out of ten children had surgery and intra-operative cryotherapy at our center with immediate improvement and recovery. One child whose parents initially refused surgical excision had initial limited clinical improvement of periorbital swelling with antibiotics. However, the lesions were excised shortly following discharge from our hospital at another medical center with a complete cure. Molluscum is a cause of periorbital abscess in immunocompetent children which should be part of the differential diagnosis in periorbital/adnexal infection. Antibiotic treatment has a limited effect, and the abscess is most likely a virally triggered reaction. Surgical excision and intra-operative cryotherapy are curative of the disease in our experience.
Analysis of influencing factors on vibration characteristics of electro-hydraulic vibration cutting system
Authors: Xie Miao , Meng Qingshuang , Zhang Wenzhuo , Wang He , Guo Jianfeng , Liu Yuan , Yan Wenxing , Li Bo
Published: October 2023

The cutting process of the cantilever tunneling machine mainly generates excitation through the cutting motor or the hydraulic cylinder driven by the hydraulic system. Regardless of the driving method, the frequency width of the excitation system is limited, difficult to control, and the excitation effect is poor. Therefore, in order to improve excavation efficiency, the excitation system parallel to the original cutting and rotating system is designed. Based on the excitation characteristics caused by alternating fluid flow, the core component of the excitation system, hydraulic exciter, is designed, and the dynamics and dynamic characteristics of the excitation system are analyzed. Based on AMESim software, analyze the impact of factors such as pump displacement, excitation frequency, and pipeline parameters on the operational performance of the electro-hydraulic vibration cutting system, and conduct experimental verification by building a cutting test bench. The experimental results show that as the inner diameter of the pipeline increases, the fluctuation at the acceleration turning point decreases in each cycle and approaches the peak faster. As the excitation frequency increases, the cutting acceleration of the electro-hydraulic excitation cutting system decreases first and then increases, verifying the accuracy of the simulation results. In the experiment, it was found that the acceleration transformation range of the cutting head of the excitation system is the smallest and most stable when the excitation frequency is 30 Hz. In order to verify that the excitation frequency of 30 Hz is the optimal frequency, further contact force tests were conducted on the cutting teeth. It was found that when the hydraulic excitation system adds a 30 Hz excitation frequency, the contact force on the cutting teeth is the smallest. It is more conducive to reducing the damage and wear of the cutting head, and the cutting effect of the cutting head is more obvious. The research results are beneficial for improving the cutting performance of the electro-hydraulic excitation cutting system, providing theoretical support for the selection of cutting parameters for excavation machinery and hydraulic excitation, and improving the existing theoretical system for active excitation cutting vibration analysis of excavation machines.
Omega 3 fatty acid improves sexual and erectile function in BPF-treated rats by upregulating NO/cGMP signaling and steroidogenic enzymes activities
Authors: Odetayo Adeyemi Fatai , Olayaki Luqman Aribidesi
Published: October 2023

Bisphenol F (BPF) is an environmental pollutant that has been implicated in sexual dysfunction. Omega 3 fatty acid (O3FA), on the other hand, is an antioxidant with the ability to improve fertility indices. However, no study has explored the possible ameliorative effect of O3FA on BPF-induced sexual dysfunction. Thus, the effect of BPF and/or O3FA on male sexual performance was investigated. Male Wistar rats were randomized into 6 groups, corn oil-treated, O3FA low and high dose (100 and 300 mg/kg), BPF-treated, BPF + O3FA low and BPF + O3FA high dose. BPF significantly impaired male sexual competence, evidenced by a reduction in motivation to mate, prolonged mount, intromission and ejaculation latency, and post-ejaculatory index. Furthermore, a reduction in mount, intromission, and ejaculation frequency were observed. Also, BPF caused a decrease in gonadotropin releasing hormone, follicle stimulating hormone, luteinizing hormone, testosterone, nitric oxide (NO) cyclic guanosine monophosphate (cGMP), 3beta-hydroxysteroid dehydrogenase (3β-HSD), 17beta-hydroxysteroid dehydrogenase (17β-HSD), dopamine, and acetylcholine esterase. Furthermore, it was accompanied by a significant increase in prolactin and estrogen and poor pregnancy outcomes. These observed BPF-led alterations were abolished by O3FA administration. This study showed that O3FA ameliorates BPF-induced sexual dysfunction by upregulating NO/cGMP signaling and steroidogenic enzymes activities.
Genome-wide epigenetic dynamics during postnatal skeletal muscle growth in Hu sheep
Authors: Cao Yutao , Ai Yue , Zhang Xiaosheng , Zhang Jinlong , Long Xianlei , Zhu Yaning , Wang Linli , Gu Qingyi , Han Hongbing
Published: October 2023

Hypertrophy and fiber transformation are two prominent features of postnatal skeletal muscle development. However, the role of epigenetic modifications is less understood. ATAC-seq, whole genome bisulfite sequencing, and RNA-seq were applied to investigate the epigenetic dynamics of muscle in Hu sheep at 3 days, 3 months, 6 months, and 12 months after birth. All 6865 differentially expressed genes were assigned into three distinct tendencies, highlighting the balanced protein synthesis, accumulated immune activities, and restrained cell division in postnatal development. We identified 3742 differentially accessible regions and 11799 differentially methylated regions that were associated with muscle-development-related pathways in certain stages, like D3-M6. Transcription factor network analysis, based on genomic loci with high chromatin accessibility and low methylation, showed that ARID5B, MYOG, and ENO1 were associated with muscle hypertrophy, while NR1D1, FADS1, ZFP36L2, and SLC25A1 were associated with muscle fiber transformation. Taken together, these results suggest that DNA methylation and chromatin accessibility contributed toward regulating the growth and fiber transformation of postnatal skeletal muscle in Hu sheep.
Lunar ejecta origin of near-Earth asteroid Kamo’oalewa is compatible with rare orbital pathways
Authors: Castro-Cisneros Jose Daniel , Malhotra Renu , Rosengren Aaron J.
Published: October 2023

Near-Earth asteroid, Kamo’oalewa (469219), is one of a small number of known quasi-satellites of Earth; it transitions between quasi-satellite and horseshoe orbital states on centennial timescales, maintaining this dynamics over megayears. The similarity of its reflectance spectrum to lunar silicates and its Earth-like orbit both suggest that it originated from the lunar surface. Here we carry out numerical simulations of the dynamical evolution of particles launched from different locations on the lunar surface with a range of ejection velocities in order to assess the hypothesis that Kamo‘oalewa originated as a debris-fragment from a meteoroidal impact with the lunar surface. As these ejecta escape the Earth-Moon environment, they face a dynamical barrier for entry into Earth’s co-orbital space. However, a small fraction of launch conditions yields outcomes that are compatible with Kamo‘oalewa’s orbit. The most favored conditions are launch velocities slightly above the escape velocity from the trailing lunar hemisphere.
Supervised discretization for decluttering classification models
Authors: Jordan James A. , Celani Caelin P. , Ketterer Michael , Lavine Barry K. , Booksh K. S.
Published: October 2023

Supervised discretization ‘declutters’ chemical sensor data to sharpen the observed differences between classes and improve multivariate classification models.
AQAFI: a bioanalytical method for automated KPIs quantification of fluorescent images of human leukocytes and micro–nano particles
Authors: Sami Muhammad A. , Tahir Muhammad Nabeel , Hassan Umer
Published: October 2023

AQAFI: An automated algorithm for quantitative quality assessment of images captured using fluorescence microscopes.
A reusable fiber-embedded microfluidic chip for rapid and sensitive on-site detection of kanamycin residues in water environments
Authors: Chen Dan , Xu Wenjuan , Huang Ziqin , Liu Jiayuan , Long Feng
Published: October 2023

A reusable fiber-embedded microfluidic chip was constructed by combining a microfluidic chip with a functionalized fiber bioprobe, which enables rapid and quantitative on-site detection of kanamycin with high sensitivity.
A colorimetric sensor with dual-ratio and dual-mode for detection of nicotine in tobacco samples
Authors: Li Jian , Liang Pengcheng , Song Huijuan , Yu Xia , Hu Shiyu , Wang Jiaqi , Cheng Cong , Zhao Yan , Su Zhaohong
Published: October 2023

Nicotine (NIC) is a harmful substance, drug, pesticide and chemical that is widely found in tobacco.
Quantification of zwitterion betaine in betaine bis(trifluoromethylsulfonyl)imide and its influence on liquid–liquid equilibrium with water
Authors: Lee Jaeseong , Fairley Melissa , Goff George S. , Brennecke Joan F.
Published: October 2023

Traditional synthesis of protonated betaine bis(trifluoromethylsulfonyl)imide results in significant amounts of neutral zwitterionic betaine impurity, which dramatically affects phase behavior.
1,4-Dimethoxynaphthalene-2-methyl (‘DIMON’), an oxidatively labile protecting group for synthesis of polyunsaturated lipids
Authors: Tromans Jay , Zhang Bian , Golding Bernard T.
Published: October 2023

A new benzyl-type protecting group (1,4-dimethoxynaphthalene-2-methyl, ‘DIMON’) for hydroxyl functions can be selectively removed under oxidative conditions without damaging polyunsaturated fatty acyl groups.
Bis(dinitropyrazolyl)methanes spruced up with hydroxyl groups: high performance energetic salts with reduced sensitivity
Authors: Bhatia Prachi , Pandey Krishna , Das Priyanka , Kumar Dheeraj
Published: October 2023

Superior derivatives of bispyrazolylmethanes, bis(4-hydroxy-3,5-dinitropyrazolyl)methane and its high-performance energetic salts, were synthesized and characterized.
In situ synthesis of rosette-like Co-doped FeNiOOH/NF for seawater oxidation
Authors: Shi Mingyuan , Tang Tianmi , Xiao Liyuan , Han Jingyi , Bai Xue , Sun Yuhang , Ma Yuanyuan , Guan Jingqi
Published: October 2023

Rosette-like Co0.2-FeNiOOH/NF exhibits low overpotential (η10) values of 185 and 244 mV in 1 M KOH and 1 M KOH + seawater, respectively.
Dynamically stable co-assembled supramolecular BOPPY systems with chiral amplification
Authors: Sun Yingzhu , Yu Changjiang , Qian Wanping , Zhang Hongtao , Jiao Lijuan , Li Jiazhu , Liu Minghua , Hao Erhong
Published: October 2023

New and dynamically stable helical chiral co-assembled systems bearing BOPPY were facilely achieved with uniform microrods and amplified CPL signals.
A self-powered mechanical energy harvester based on CH3NH3PbI3 doped P(VDF-HFP)/PANI composite films
Authors: Barman Priti Sundar , Garain Samiran , Adhikary Prakriti
Published: October 2023

Electroactive PANI and CH3NH3PbI3 doped copolymer P(VDF-HFP) composite films for piezoelectric-based energy harvesting in self-powered mode.
Photoelasticity of a MgO single crystal from polarized Brillouin scattering spectroscopy
Authors: Wu YongQuan , Bao ZhengPing , You JingLin
Published: October 2023

A standard process for simultaneous measurement of elasticity and photoelasticity through Brillouin scattering spectroscopy is developed. A set of photoelastic constants (p44 = −0.085 (1), p11 = −0.244 (4) and p12 = −0.045 (3)) of MgO is hereby obtained.
Recent advances in copper chalcogenides for CO2 electroreduction
Authors: Hu Wenjian , Grandjean Didier , Vaes Jan , Pant Deepak , Janssens Ewald
Published: October 2023

The latest advances in the synthesis and performance of copper chalcogenide materials for CO2 electroreduction are reviewed, with focus on advanced characterization techniques and rational design strategies.
Dynamics of organophosphate guest encapsulation in heteroleptic coordination cages
Authors: Juber Selina , Schäfer Lars V.
Published: October 2023

The bound state of an organophosphate guest encapsulated inside heteroleptic coordination cages is characterised by pronounced dynamics.
Excess and excited-state dipole moments of real-life dyes: a comparison between wave-function, BSE/GW, and TD-DFT values
Authors: Knysh Iryna , Villalobos-Castro Jose D. J. , Duchemin Ivan , Blase Xavier , Jacquemin Denis
Published: October 2023

Bethe–Salpeter equation (BSE) many-body Greens function formalism provides excess dipole moments (Δμ) on the same level or slightly better than that of TD-DFT relying on M06-2X and RSH functionals.
Biological noncovalent N/O⋯V interactions: insights from theory and protein data bank analyses
Authors: Burguera Sergi , Frontera Antonio , Bauzá Antonio
Published: October 2023

The physical nature and biological implications of noncovalent N/O⋯V interactions were investigated in this combined structural (Protein Data Bank survey) and theoretical (PBE0/def2-TZVP level of theory) study.
Formic acid–methanol complexation vs. esterification: elusive pre-reactive species identified by vibrational spectroscopy
Authors: Schweer Sophie M. , Gawrilow Maxim , Nejad Arman , Suhm Martin A.
Published: October 2023

Formic acid–methanol complexes are vibrationally probed in supersonic jet expansions – microwave spectroscopy so far only detected the ester reaction product.
Tripodal tris(siloxide) ligand supported trivalent rare-earth metal complexes and redox reactivity
Authors: Guo Hui , Hong Dongjing , Cui Peng
Published: October 2023

Tetravalent cerium chloride and tert-butoxide complexes supported by a tripodal tris(siloxide) ligand showed substantial stability.
Single-atom sites combined with metal nano-aggregates for efficient electrocatalysis
Authors: Wu Yonggan , Tang Xiannong , Yuan Kai , Chen Yiwang
Published: October 2023

This review summarizes recent progress and prospects of catalysts containing metal single-atom (M1) and metal nano-aggregates (MNAs, particles or clusters), which promise to combine the merits of SACs and MNA-based catalysts for efficient electrocatalysis.
Electrochemical-induced solvent-tuned selective transfer hydrogenation of imidazopyridines with carbazates as hydrogen donors
Authors: Tang Zhicong , Hong Gang , Chen Jian , Huang Ting , Zhou Zichao , Wang Limin
Published: October 2023

A solvent-tuned electrochemical protocol for the selective transfer hydrogenation of imidazopyridines using carbazates as hydrogen donors has been developed.
A mild and efficient synthesis of aminofurazans
Authors: Sheremetev Aleksei B. , Kozeev Andrei S. , Palysaeva Nadezhda V. , Suponitsky Kyrill Yu.
Published: October 2023

From bromomethyl ketones to aminofurazans – a simple, effective and inexpensive synthesis.
Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies
Authors: Zhao Peng , Xin Ben-Song , He Feng-Ming , Ye Li , Ma Zhen-Tao , Hao Jin-Le , Shi Rui , He Xia-Hong , Yao Guo-Dong , Lin Bin , Huang Xiao-Xiao , Song Shao-Jiang
Published: October 2023

Nine undescribed carotane sesquiterpenes and rare rearranged guaiane sesquiterpenoids (1–9), along with two known analogues (10–11), were obtained from the aerial parts of Daphne penicillata.
Pd(OAc)2/[C18–DABCO–C18]2Br: a nano palladium catalytic approach for Mizoroki–Heck and Suzuki–Miyaura coupling reactions in water
Authors: Rajmane Archana , Pawara Chunilal , Kamble Sumit , More Utkarsh , Patil Suresh , Kumbhar Arjun
Published: October 2023

In this study, we have successfully used a new catalytic system comprised of Pd(OAc)2 and [C18–DABCO–C18]2Br (at a ratio of 1 : 10 mol%) for various types of C–C coupling reactions, including Mizoroki–Heck and Suzuki–Miyaura, in a water-based medium.
The construction of a MAPbBr3/La2Ti2O7 organic–inorganic dual perovskite heterojunction for photocatalytic CO2 reduction
Authors: Yin Liying , Wang Zhongzheng , Zhou Danyang , Guo Fuhai , Zhang Xiao , Li Kui
Published: October 2023

The MAPbBr3/La2Ti2O7 dual perovskite heterojunction with similar crystal structures, improved visible light absorption capacity and separation efficiency of charge carriers, thus exhibited enhanced photocatalytic CO2 reduction activity.
Nanobubble-mediated cancer cell sonoporation using low-frequency ultrasound
Authors: Bismuth Mike , Eck Michal , Ilovitsh Tali
Published: October 2023

We developed an improved sonoporation method using nanobubbles, offering potential for noninvasive uses. Our results confirmed that low frequency insonation yields sonoporation outcomes comparable to those achieved with targeted microbubbles.
MOF-based heterogeneous catalysis in continuous flow via incorporation onto polymer-based spherical activated carbon supports
Authors: Griffiths Anthony , Boyall Sarah L. , Müller Pia , Harrington John P. , Sobolewska Anna M. , Reynolds William R. , Bourne Richard A. , Wu Kejun , Collins Sean M. , Muldowney Mark , Chamberlain Thomas W.
Published: October 2023

We present an approach to harnessing the tuneable catalytic properties of complex nanomaterials for continuous flow heterogeneous catalysis by combining them with the scalable and industrially implementable properties of carbon pelleted supports.
Adaptive carbonyl umpolung involving a carbanionic carbene Breslow intermediate: an alternative mechanism for NHC-mediated organocatalysis
Authors: Aysin Rinat R. , Galkin Konstantin I.
Published: October 2023

The principal thermodynamic possibility for dynamic and adaptive NHC-mediated carbonyl umpolung, which enables the formation of a carbanionic carbene Breslow intermediate, has been theoretically demonstrated for the Benzoin condensation reaction.
The effect of polymer end-group on the formation of styrene – maleic acid lipid particles (SMALPs)
Authors: Neville George M. , Morrison Kerrie A. , Shilliday Ella R. , Doutch James , Dalgliesh Robert , Price Gareth J. , Edler Karen J.
Published: October 2023

Variation in copolymer end groups was found to significantly influence the solution behaviour of styrene maleic acid copolymers. A powerful means to tailor RAFT copolymers towards target membranes could lie with optimised end group chemistry.
Catalysis of non-canonical protein ubiquitylation by the ARIH1 ubiquitin ligase
Authors: Purser Nicholas , Tripathi-Giesgen Ishita , Li Jerry , Scott Daniel C. , Horn-Ghetko Daniel , Baek Kheewoong , Schulman Brenda A. , Alpi Arno F. , Kleiger Gary
Published: October 2023

Protein ubiquitylation typically involves isopeptide bond formation between the C-terminus of ubiquitin to the side-chain amino group on Lys residues. However, several ubiquitin ligases (E3s) have recently been identified that ubiquitylate proteins on non-Lys residues. For instance, HOIL-1 belongs to the RING-in-between RING (RBR) class of E3s and has an established role in Ser ubiquitylation. Given the homology between HOIL-1 and ARIH1, an RBR E3 that functions with the large superfamily of cullin-RING E3 ligases (CRLs), a biochemical investigation was undertaken, showing ARIH1 catalyzes Ser ubiquitylation to CRL-bound substrates. However, the efficiency of ubiquitylation was exquisitely dependent on the location and chemical environment of the Ser residue within the primary structure of the substrate. Comprehensive mutagenesis of the ARIH1 Rcat domain identified residues whose mutation severely impacted both oxyester and isopeptide bond formation at the preferred site for Ser ubiquitylation while only modestly affecting Lys ubiquitylation at the physiological site. The results reveal dual isopeptide and oxyester protein ubiquitylation activities of ARIH1 and set the stage for physiological investigations into this function of emerging importance.
A Comparison of Listening Skills of Autistic and Non-Autistic Youth While Using and Not Using Remote Microphone Systems
Authors: Thompson Emily , Feldman Jacob I. , Valle Annalise , Davis Hilary , Keceli-Kaysili Bahar , Dunham Kacie , Woynaroski Tiffany , Tharpe Anne Marie , Picou Erin M.
Published: October 2023

Objectives:

The purposes of this study were to compare (a) listening-in-noise (accuracy and effort) and (b) remote microphone (RM) system benefits between autistic and non-autistic youth.

Design:

Groups of autistic and non-autistic youth that were matched on chronological age and biological sex completed listening-in-noise testing when wearing and not wearing an RM system. Listening-in-noise accuracy and listening effort were evaluated simultaneously using a dual-task paradigm for stimuli varying in type (syllables, words, sentences, and passages). Several putative moderators of RM system effects on outcomes of interest were also evaluated.

Results:

Autistic youth outperformed non-autistic youth in some conditions on listening-in-noise accuracy; listening effort between the two groups was not significantly different. RM system use resulted in listening-in-noise accuracy improvements that were nonsignificantly different across groups. Benefits of listening-in-noise accuracy were all large in magnitude. RM system use did not have an effect on listening effort for either group. None of the putative moderators yielded effects of the RM system on listening-in-noise accuracy or effort for non-autistic youth that were significant and interpretable, indicating that RM system benefits did not vary according to any of the participant characteristics assessed.

Conclusions:

Contrary to expectations, autistic youth did not demonstrate listening-in-noise deficits compared to non-autistic youth. Both autistic and non-autistic youth appear to experience RM system benefits marked by large gains in listening-in-noise performance. Thus, the use of this technology in educational and other noisy settings where speech perception needs enhancement might be beneficial for both groups of children.
Failure Mode Analysis and Maintenance of Railway Overhead Line Rigid Stainless Steel Droppers and Multi‐Strand Copper Jumpers
Authors: Du Jingyu , Li Jian-Ping , Chaplin George , Gardiner Andrew , Hu Fun-Yim
Published: October 2023

Droppers and jumpers are important components of railway overhead line electrification. Their effective maintenance is critical for the railway’s safe and reliable operation; the consequences of their failure can be disproportionally serious. This paper systematically analyses the components’ failure by applying the method of failure modes and effects analysis to the maintenance records and incident statistics of Britain’s East Coast Main Line. The analysis is presented with photographic evidence and a review of the current maintenance strategy and practice that addresses the risk of failure. These results can support improved dropper and jumper design and the development of more effective maintenance strategies to further prevent failure and operational disruption.
Water ice: Temperature-dependent refractive indexes and their astrophysical implications
Authors: Rocha W. R. M. , Rachid M. G. , McClure M. K. , He J. , Linnartz H.
Published: October 2023

Context. Interstellar and circumstellar ices are largely composed of frozen water. Therefore, it is important to derive fundamental parameters for H2O ice such as absorption and scattering opacities, for which accurate complex refractive indexes are needed.

Aims. The primary goal of the work presented here is to derive ice-grain opacities based on accurate H2O ice complex refractive indexes at low temperatures and to assess the impact this has on the derivation of water ice column densities and porosity in space.

Methods. We used the optool code to derive ice-grain scattering and absorption opacity values based on new and previously reported mid-infrared (mid-IR) complex refractive index measurements of H2O ice, primarily in its amorphous form, but not exclusively. Next, we used those opacities in the RADMC-3D code to run a radiative transfer simulation of a protostellar envelope containing H2O ice, which was then used to calculate water ice column densities.

Results. We found that the real refractive index in the mid-IR of H2O ice at 30 K is ~14% lower than previously reported in the literature. This has a direct impact on the ice column densities derived from the simulations of embedded protostars. Additionally, we found that ice porosity plays a significant role in the opacity of icy grains and that the H2O libration mode can be used as a diagnostic tool to constrain the porosity level. Finally, the refractive indexes presented here allowed us to estimate a grain size detection limit of 18 μm based on the 3 μm band, whereas the 6 μm band allowed us to trace grain sizes larger than 20 μm.

Conclusions. Based on radiative transfer simulations using new mid-IR refractive indexes, we conclude that H2O ice leads to more absorption of infrared light than previously estimated. This implies that the 3 and 6 μm bands remain detectable in icy grains with sizes larger than 10 μm. Finally, we also propose that the H2O ice libration band can be used as a diagnostic tool to constrain the porosity level of the interstellar ice, in addition to the OH dangling bond, which is now routinely used for this purpose.
Charles Augustin de Coulomb, the artisan of modern geotechnical engineering
Authors: Lacasse Suzanne
Published: October 2023

The paper puts in perspective the influence of Charles-Augustin de Coulomb on the research and practice of modern geotechnical engineering. In his “Essai” (1773), Coulomb presented clear propositions on friction and cohesion on a sliding plane, giving birth to today’s soil mechanics. Coulomb’s theory started with the suggestion that the strength on a slip plane must involve a combination of friction and cohesion. Coulomb used calculus to obtain active earth pressure and show how friction and cohesion together affect lateral earth pressure. Coulomb was a gifted experimental scientist and wrote, when discussing friction, cohesion and interlocking that “only experiment can help us to decide the reality of the different causes” [for resistance]. With his fundamental equation [±t = c + µσ = c + tanϕ σ], Coulomb brought his theory to design. Design guidelines and standards are written in terms of cohesion and friction, and Coulomb’s fundamental slip plane model still dominates today’s soil mechanics. Coulomb’s insight led to further developments by Terzaghi, Hvorslev, Skempton, and the ensuing work at Imperial College and Cambridge University in the UK, at Harvard and at MIT (Lambe, Whitman, and Ladd) in the USA. Coulomb’s work, originally for masonry, has enabled the geotechnical profession to map soil behaviour, and continues to inspire new generations of researchers to look into improved and novel models and interpretations of the shear strength of soil and rock.