bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of whiB7 in Mycobacterium tuberculosis reveals novel AT-hook deletion mutations
Authors: Davies-Bolorunduro Olabisi Flora , Jaemsai Bharkbhoom , Ruangchai Wuthiwat , Phumiphanjarphak Worakorn , Aiewsakun Pakorn , Palittapongarnpim Prasit
Published: August 2023

Mutations in whiB7 have been associated with both hypersusceptibility and resistance to various antibiotics in Mycobacterium tuberculosis (Mtb). Unlocking the secrets of antibiotic resistance in the bacterium, we examined mutations in the coding sequences of whiB7 of over 40,000 diverse Mtb isolates. Our results unveil the dominant c.191delG (Gly64delG) mutation, present in all members of the lineage L1.2.2 and its impact on WhiB7's conserved GVWGG-motif, causing conformational changes and deletion of the C-terminal AT-hook. Excitingly, we discovered six unique mutations associated with partial or total deletion of the AT-hook, specific to certain sublineages. Our findings suggest the selective pressures driving these mutations, underlining the potential of genomics to advance our understanding of Mtb's antibiotic resistance. As tuberculosis remains a global health threat, our study offers valuable insights into the diverse nature and functional consequences of whiB7 mutations, paving the way for the development of novel therapeutic interventions.
Two sequence- and two structure-based ML models have learned different aspects of protein biochemistry
Authors: Kulikova Anastasiya V. , Diaz Daniel J. , Chen Tianlong , Cole T. Jeffrey , Ellington Andrew D. , Wilke Claus O.
Published: August 2023

Deep learning models are seeing increased use as methods to predict mutational effects or allowed mutations in proteins. The models commonly used for these purposes include large language models (LLMs) and 3D Convolutional Neural Networks (CNNs). These two model types have very different architectures and are commonly trained on different representations of proteins. LLMs make use of the transformer architecture and are trained purely on protein sequences whereas 3D CNNs are trained on voxelized representations of local protein structure. While comparable overall prediction accuracies have been reported for both types of models, it is not known to what extent these models make comparable specific predictions and/or generalize protein biochemistry in similar ways. Here, we perform a systematic comparison of two LLMs and two structure-based models (CNNs) and show that the different model types have distinct strengths and weaknesses. The overall prediction accuracies are largely uncorrelated between the sequence- and structure-based models. Overall, the two structure-based models are better at predicting buried aliphatic and hydrophobic residues whereas the two LLMs are better at predicting solvent-exposed polar and charged amino acids. Finally, we find that a combined model that takes the individual model predictions as input can leverage these individual model strengths and results in significantly improved overall prediction accuracy.
Effect of the inclusion of extruded flaxseed in the diet of fattening pigs on lipid metabolism and tissue redox status
Authors: Czech Anna , Klimiuk Kamila , Sembratowicz Iwona
Published: August 2023

The aim of the study was to evaluate the effect of a diet containing extruded flaxseed (Linum usitatissimum L.) on the fatty acid composition of the loin, blood lipid parameters, and the redox status of tissues of finishing pigs. A total of 160 weaners (about 30–110 kg BW) were assigned to four experimental groups of 40 animals each (5 replicates with 8 individuals each). Group C (control) received a diet in which the fat source was soybean oil, while in groups 2FE, 4FE and 6FE soybean meal was replaced with extruded flaxseed in the amount of 2%, 4% or 6%, respectively. The diet containing extruded flaxseed reduced cholesterol levels in the blood plasma of pigs (grower 2FE and 6FE vs. C; finisher 2FE, 4FE and 6FE vs. C) and loin muscle (2FE, 4FE and 6FE vs. C). A decrease in the atherogenic LDL-C fraction and in the content of triacylglycerols was also noted in the blood plasma of grower and finisher pigs receiving flaxseed (2FE, 4FE and 6FE vs. C). The beneficial effects noted in the experimental pigs also included an increase in the overall content of n-3 PUFAs, especially ALA (18:3 n-3), and a reduction in the n-6/n-3 ratio. This was especially evident at 4% and 6% inclusion of flaxseed. The highest proportion of flax (6%) in the blend increased lipid peroxidation, as evidenced by the increase in the content of LOOH and MDA in the blood plasma of grower and finisher pigs. For this reason, a 4% share of flaxseed in the diet of fattening pigs seems to be optimal, while higher levels require an additional supply of exogenous antioxidants.
Comparing effects and application of telemedicine for different specialties in emergency medicine using the Emergency Talk Application (U-Sim ETA Trial)
Authors: O’Sullivan Seán , Schneider Henning
Published: August 2023

Telemedicine as a technology can support processes in the field of emergency medicine (EM) including therapies and diagnostics, but technically is often based on hardware solutions for local EM structures, especially when involving the field of pre-hospital EM. By developing an open-source, data protection compliant solution (EU GDPR and HIPAA) as well as using standardized web and open-source based technology the Emergency Talk Application (ETA) can be used as a technology that can connect emergency medical providers and include already available regional structures. By actively involving patients and connecting these with emergency or urgent care physicians ETA can be used not only as a teleconsultation system for paramedics and physicians, but in a wider network. Randomised simulation trial, comparing EM scenarios from the field of internal medicine, trauma and neurology. Participants were qualified as certified paramedics or emergency physicians (EP). Paramedics performed as ambulances crews and involved an EP if needed via ETA as Tele-Emergency Physicians (TEP). EP participated from a device of their choice, while being able to stay within their clinical workspace. From 141 scenarios 129 used ETA. Significant differences were found for the length of scenarios, duration of time the TEP was on scene, TEP arrival after scenario start, duration until TEP was called and the duration until a diagnosis was made. Also a strong positive and significant correlation between duration of the scenario and the time a TEP was bound could be described. Telemedicine is a technology that is increasingly used in the field of EM. Improving the use of telemedicine by using up-to date technology while allowing an integration of available technical and human resources is a challenge in the field of emergency medicine especially with its regional but also broad medical variety. When using one technical solution, understanding that different cases need a different medical and also telemedical approach can help in the understanding and improving therapies, diagnostics but also the involved processes and solutions. Such results are not only relevant for healthcare providers but especially by law and decision makers as to which type of solution could be introduced in each regional setting.
Irreversibility analysis through neural networking of the hybrid nanofluid for the solar collector optimization
Authors: Alharbi Sayer Obaid , Gul Taza , Khan Ilyas , Khan Mohd Shakir , Alzahrani Saleh
Published: August 2023

Advanced techniques are used to enhance the efficiency of the energy assets and maximize the appliance efficiency of the main resources. In this view, in this study, the focus is paid to the solar collector to cover thermal radiation through optimization and enhance the performance of the solar panel. Hybrid nanofluids (HNFs) consist of a base liquid glycol (C3H8O2) in which nanoparticles of copper (Cu) and aluminum oxide (Al2O3) are doped as fillers. The flow of the stagnation point is considered in the presence of the Riga plate. The state of the solar thermal system is termed viva stagnation to control the additional heating through the flow variation in the collector loop. The inclusion of entropy generation and Bejan number formation are primarily conceived under the influence of physical parameters for energy optimization. The computational analysis is carried out utilizing the control volume finite element method (CVFEM), and Runge–Kutta 4 (RK-4) methods. (FEATool Multiphysics) software has been used to find the solution through (CVFEM). The results are further validated through a machine learning neural networking procedure, wherein the heat transfer rate is greatly upgraded with a variation of the nanoparticle's volume fraction. We expect this improvement to progress the stability of heat transfer in the solar power system.
Experimental study on high temperature tensile behaviour of aluminium alloy AA5083 with oscillating load
Authors: Shirinzadeh Dastgiri Mohammad , Fuerth Zackary , Kiawi Leo , Green Daniel
Published: August 2023

The flow behaviour of aluminium alloy AA5083 at 450 $$^\circ $$

∘

C has been investigated under quasi-static loading conditions with and without a superimposed oscillating load. Samples were placed under tensile load at constant strain rates ranging from 0.001 to 0.3 s$$^{-1}$$

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1

. A fixture was designed to generate the required sine-wave oscillation and was attached to the MTS tensile test machine along with a secondary, highly sensitive load cell. The frequencies of the imposed oscillations ranged from 5 to 100 Hz with an amplitude ranging from 0.02 to 0.5-N. It was observed that the imposition of oscillations influences the deformation behaviour of the material. Although the yield and tensile strength remain relatively constant, the total elongation is 8–23% higher under an imposed oscillating load. In addition, the thickness distribution profiles along the gauge length of the tensile specimens were investigated and it was observed that in the presence of oscillations the thickness distribution is more uniform. It was concluded that the presence of a superimposed oscillative load will result in greater deformation capabilities before fracture and postpone the occurrence of damage compared to conventional forming. This phenomenon was further explored utilising a user-defined material subroutine developed for the finite element solver LS-DYNA to simulate the conducted constant load tensile tests.
Cardiorespiratory dose comparison among six radiotherapy regimens for patients with left-sided breast cancer
Authors: Lu Yongkai , Ma Yanfang , Yang Di , Li Yi , Yuan Wei , Tang Fengwen , Xu Lei , Zhou Luping , Lin Hao , Li Binglin , Chen Ruijuan , He Chenchen , Zhao Dongli
Published: August 2023

There is uncertainty regarding the benefits and drawbacks of various radiation protocols for the treatment of left-sided breast cancer. To address this issue, we conducted a Bayesian network analysis. First, we searched several electronic databases for eligible literature. Next, we pooled the data from twelve studies concerning three-dimensional conformal radiation therapy (3D-CRT), intensity modulated radiation therapy (IMRT), and volumetric modulated arc therapy (VMAT), combined with either deep inspiratory breath-holding (DIBH) or free-breathing (FB) modalities. The integrated cardiac and pulmonary dosimetric indexes for all included treatments were compared using Bayesian networks. A direct meta-analysis indicated that for the two methods of 3D-CRT and IMRT, DIBH technology was more effective than FB in reducing the radiation dose to the heart and lungs. Additionally, according to the network results, DIBH was superior to FB in all six treatment options, regardless of whether the plan was 3D-CRT, IMRT, or VMAT. Besides, the combined data indicated that the FB-3D-CRT regimen had the weakest dosimetric advantage of all the treatments. Excluding FB-3D-CRT, each of the other five treatments had its own specific benefits. This is the first Bayesian study of several radiotherapy regimens for breast cancer patients on the left side, and the findings can be used to select appropriate radiotherapy programs for breast cancer patients.
Shortening/re-lengthening and nailing versus bone transport for the treatment of segmental femoral bone defects
Authors: Yang Na , Ma Teng , Liu Lu , Xu YiBo , Li Zhong , Zhang Kun , Wang Qian , Huang Qiang
Published: August 2023

Segmental femoral bone defects are a severe challenge for orthopedic trauma surgeons. The objective of this study was to compare the efficacy of the shortening/re-lengthening and nailing (SRN) technique with the traditional bone transport (BT) technique in treating patients with such defects. A retrospective study was conducted involving 46 patients with segmental femoral bone defects, with 21 cases treated using the SRN technique (SRN group) and 25 cases managed with the traditional BT technique (BT group). The mean length of the bone defect was 5.8 ± 1.1 cm in the SRN group and 6.1 ± 1.6 cm in the BT group. Various parameters including time in frame, external fixation index, self-rating anxiety scale (SAS) scores, bone healing scores, limb function scores, and complications were recorded. The mean time in frame for the SRN group was 3.7 ± 1.4 months, significantly shorter than the 9.4 ± 3.7 months observed in the BT group (p < 0.05). Furthermore, the mean external fixation index for the SRN group was 0.62 ± 0.12 months/cm, significantly lower than the 1.50 ± 0.19 months/cm observed in the BT group (p < 0.05). There were no significant differences in bone healing scores between the SRN and BT groups (p = 0.237). The SAS scores and incidence of complications were significantly lower in the SRN group compared to the BT group (p < 0.05). Overall, the SRN technique demonstrated superior clinical efficacy compared to the traditional BT technique for the management of segmental femoral bone defects, with shorter time in frame, lower external fixation index, and reduced complications. Therefore, the SRN technique may be considered an optimal choice for treating patients with such conditions.
Commercial scale production of Yamabushitake mushroom (Hericium erinaceus (Bull.) Pers. 1797) using rubber and bamboo sawdust substrates in tropical regions
Authors: Chutimanukul Preuk , Phatthanamas Wongsakorn , Thepsilvisut Ornprapa , Chantarachot Thanin , Thongtip Akira , Chutimanukul Panita
Published: August 2023

Yamabushitake (Hericium erinaceus) is one of the most sought out mushrooms that is widely used for both direct consumption and medicinal purposes. While its demand increases worldwide, cultivation of the mushroom is limited to temperate areas and its production in tropical regions has never been explored. The aim of this study was to test the utilization of rubber and bamboo sawdust, alone or as a substrate mixture, for industrial scale Yamabushitake mushroom production. Five substrate treatments with various ratios of the two sawdust were compared for their physicochemical properties in relation to mushroom productivity. The highest mushroom fresh and dry (113.22 and 23.25 g, respectively), biological efficiency (42.61%), and cap size (9.53 cm) were obtained from the substrates containing 100% rubber sawdust, with the mushroom yield decreasing proportional to the ratio of bamboo sawdust. The 100% rubber sawdust substrate provided a higher initial organic matter and carbon content together with C:N ratio at 63.2%, 36.7% and 65.48, respectively, whereas the 100% bamboo sawdust provided higher nitrogen content (1.03%), which was associated with lower mushroom yield but higher number of fruiting bodies. As in the 100% rubber sawdust substrate, a comparable mushroom yield and growth attributes were also obtained in the 3:1 rubber-bamboo sawdust mixture substrate. Principle component analysis of the measured variables indicated a strong influence of substrate C:N ratio before spawning and the change in substrate electrical conductivity and N content after cultivation to the variation in mushroom productivity among the treatments. The results demonstrate the applicability of rubber sawdust and its combination with up to 25% of bamboo sawdust for Yamabushitake mushroom cultivation and provide the basis for substrate optimization in the tropical Yamabushitake mushroom industry through a circular economy framework.
Applying machine learning to consumer wearable data for the early detection of complications after pediatric appendectomy
Authors: Ghomrawi Hassan M. K. , O’Brien Megan K. , Carter Michela , Macaluso Rebecca , Khazanchi Rushmin , Fanton Michael , DeBoer Christopher , Linton Samuel C. , Zeineddin Suhail , Pitt J. Benjamin , Bouchard Megan , Figueroa Angie , Kwon Soyang , Holl Jane L. , Jayaraman Arun , Abdullah Fizan
Published: August 2023

When children are discharged from the hospital after surgery, their caregivers often rely onsubjectiveassessments (e.g., appetite, fatigue) to monitor postoperative recovery as objective assessment tools are scarce at home. Such imprecise and one-dimensional evaluations can result in unwarranted emergency department visits or delayed care. To address this gap in postoperative monitoring, we evaluated the ability of a consumer-grade wearable device, Fitbit, which records multimodal data about daily physical activity, heart rate, and sleep, in detecting abnormal recovery early in children recovering after appendectomy. One hundred and sixty-two children, ages 3–17 years old, who underwent an appendectomy (86 complicated and 76 simple cases of appendicitis) wore a Fitbit device on their wrist for 21 days postoperatively. Abnormal recovery events (i.e., abnormal symptoms or confirmed postoperative complications) that arose during this period were gathered from medical records and patient reports. Fitbit-derived measures, as well as demographic and clinical characteristics, were used to train machine learning models to retrospectively detect abnormal recovery in the two days leading up to the event for patients with complicated and simple appendicitis. A balanced random forest classifier accurately detected 83% of these abnormal recovery days in complicated appendicitis and 70% of abnormal recovery days in simple appendicitis prior to the true report of a symptom/complication. These results support the development of machine learning algorithms to predict onset of abnormal symptoms and complications in children undergoing surgery, and the use of consumer wearables as monitoring tools for early detection of postoperative events.
Global endometrial DNA methylation analysis reveals insights into mQTL regulation and associated endometriosis disease risk and endometrial function
Authors: Mortlock Sally , Houshdaran Sahar , Kosti Idit , Rahmioglu Nilufer , Nezhat Camran , Vitonis Allison F. , Andrews Shan V. , Grosjean Parker , Paranjpe Manish , Horne Andrew W. , Jacoby Alison , Lager Jeannette , Opoku-Anane Jessica , Vo Kim Chi , Manvelyan Evelina , Sen Sushmita , Ghukasyan Zhanna , Collins Frances , Santamaria Xavier , Saunders Philippa , Kober Kord , McRae Allan F. , Terry Kathryn L. , Vallvé-Juanico Júlia , Becker Christian , Rogers Peter A. W. , Irwin Juan C. , Zondervan Krina , Montgomery Grant W. , Missmer Stacey , Sirota Marina , Giudice Linda
Published: August 2023

Endometriosis is a leading cause of pain and infertility affecting millions of women globally. Herein, we characterize variation in DNA methylation (DNAm) and its association with menstrual cycle phase, endometriosis, and genetic variants through analysis of genotype data and methylation in endometrial samples from 984 deeply-phenotyped participants. We estimate that 15.4% of the variation in endometriosis is captured by DNAm and identify significant differences in DNAm profiles associated with stage III/IV endometriosis, endometriosis sub-phenotypes and menstrual cycle phase, including opening of the window for embryo implantation. Menstrual cycle phase was a major source of DNAm variation suggesting cellular and hormonally-driven changes across the cycle can regulate genes and pathways responsible for endometrial physiology and function. DNAm quantitative trait locus (mQTL) analysis identified 118,185 independent cis-mQTLs including 51 associated with risk of endometriosis, highlighting candidate genes contributing to disease risk. Our work provides functional evidence for epigenetic targets contributing to endometriosis risk and pathogenesis. Data generated serve as a valuable resource for understanding tissue-specific effects of methylation on endometrial biology in health and disease.
Nonlinear interactions between vibration modes with vastly different eigenfrequencies
Authors: Shoshani Oriel , Shaw Steven W.
Published: August 2023

Nonlinear interactions between modes with eigenfrequencies that differ by orders of magnitude are ubiquitous in various fields of physics, ranging from cavity optomechanics to aeroelastic systems. Simplifying their description to a minimal model and grasping the essential physics is typically a system-specific challenge. We show that the complex dynamics of these interactions can be distilled into a single generic form, namely, the Stuart-Landau oscillator. With our model, we study the injection locking and frequency pulling of a low-frequency mode interacting with a blue-detuned high-frequency mode, which generate frequency combs. Such combs are tunable around both the high and low carrier frequencies. By discussing the analogy with a simple mechanical system model, we offer a minimalistic conceptual view of these complex interactions originating the frequency combs, together with showcasing their frequency tunability.
Luxury and legacy effects on urban biodiversity, vegetation cover and ecosystem services
Authors: Aznarez Celina , Svenning Jens-Christian , Pacheco Juan Pablo , Have Kallesøe Frederik , Baró Francesc , Pascual Unai
Published: August 2023

Socio-economic and historical drivers shape urban nature distribution and characteristics, as luxury (wealth-related) and legacy (historical management) effects. Using remote sensing and census data on biodiversity and socio-economic indicators, we examined these effects on urban biodiversity and vegetation cover in Vitoria-Gasteiz (Basque Country). We also tested the luxury and legacy hypotheses on regulating ecosystem services (ES) and explored predictor interactions. Higher educational attainment positively correlated with urban biodiversity, confirming the luxury effect, but had no effect on vegetation cover or ES. Older areas had higher vegetation cover and ES evidencing a legacy effect with an inverse response on biodiversity, attributable to more recent management strategies promoting biodiversity in green spaces. Habitat quality amplified the luxury effect, while population density strengthened the legacy effect. Our results suggest that urban biodiversity is mainly driven by socio-economic factors, while vegetation cover and ES are influenced by management legacies in interaction with population density.
Long-term volcano evolution controlled by lateral collapse at Antuco volcano, southern Andes, Chile
Authors: Romero Jorge E. , Polacci Margherita , Arzilli Fabio , Schipper C. Ian , La Spina Giuseppe , Burton Mike , Parada Miguel A. , Norambuena Juan , Guevara Alicia , Watt Sebastian , Moreno Hugo , Franco Luis , Fellowes Jonathan
Published: August 2023

Beyond the catastrophic environmental effects of large (>1 km3) volcanic landslides, their impact on underlying magmatic systems remains unclear. Chemical variations in post-collapse volcanic products, alongside dramatic eruptive behaviour transitions reported from several volcanoes, imply that surface unloading directly influences subsurface magmatic processes. By combining petrologic data with magma ascent models, we track the post-collapse (<7 ka) magmatic system evolution of Antuco volcano (Chile). During the pre-collapse period, low-explosivity eruptions were sourced from a hotter and deeper storage region. However, the landslide-induced unloading and decompression reactivated a pre-existing, shallower, silicic magma reservoir, favouring more explosive activity. The pre-collapse conditions were restored after edifice regeneration over a few thousand years. Since shallow magma reservoirs are common beneath volcanoes (e.g. in Etna, Villarrica, or Fuji), similar responses could follow future lateral collapses. These findings are relevant when assessing volcanic hazards at gravitationally unstable or collapsed volcanoes on a hundred- to thousand-year timescale.
What determines climate ambition? Analysing NDC enhancement with a mixed-method design
Authors: Peterson Lauri , van Asselt Harro , Hermwille Lukas , Oberthür Sebastian
Published: August 2023

The 2015 Paris Agreement relies on Nationally Determined Contributions (NDCs) to outline each country’s policies and plans for reducing greenhouse gas (GHG) emissions. To strengthen global climate action and achieve the Agreement’s temperature goal, it is crucial to enhance the ambition level of NDCs every 5 years. While previous studies have explored the ambition of initial NDCs, limited research has delved into the factors driving the enhancement or lack thereof in NDCs’ emission reduction plans. This study employs a mixed-method design to investigate the determinants of NDC enhancement. First, we analyse the updated or revised NDCs of 111 countries using quantitative methods. Second, we conduct qualitative case studies focusing on Brazil and South Africa. Our findings reveal that countries that engaged in stakeholder consultations with civil society, business, and labour groups prior to developing their updated or revised NDCs were more likely to enhance their greenhouse gas reduction targets. These results are further supported by the case studies. South Africa conducted comprehensive consultations and submitted an enhanced GHG target, while Brazil, which did not arrange open consultations, did not improve its target. This study underscores the significance of comprehensive and transparent stakeholder engagement processes, highlighting their potential to drive enhanced NDCs. By involving diverse stakeholders, including civil society, business, and labour groups, countries can foster greater ambition and effectiveness in their climate action, ultimately contributing to the global effort to combat climate change.
A LoC-SERS platform based on triple signal amplification for highly sensitive detection of colorectal cancer miRNAs
Authors: Dai Chun , Wang Kun , Tan Ming , Hua Zhaolai , Xia Lin , Qin Lei
Published: August 2023

Detection process utilizing the LoC-SERS platform.
Dendritic systems for bacterial outer membrane disruption as a method of overcoming bacterial multidrug resistance
Authors: Skrzyniarz Kinga , Kuc-Ciepluch Dorota , Lasak Magdalena , Arabski Michał , Sanchez-Nieves Javier , Ciepluch Karol
Published: August 2023

Outer bacterial membrane disruption by dendritic systems as a way to overcome drug resistance.
Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity
Authors: Alessi Dario , Del Mestre Pierfrancesco , Aneggi Eleonora , Ballico Maurizio , Beltrami Antonio P. , Busato Marta , Cesselli Daniela , Heidecker Alexandra A. , Zuccaccia Daniele , Baratta Walter
Published: August 2023

The neutral ruthenium cyclometalated complexes [Ru(C^N)(η2-OAc)(dppb)] proven to be efficient catalysts in Oppenauer-type oxidation and transfer hydrogenation reactions with TOF up to 14 300 h−1 and show cytotoxic activity against U87 cancer cells.
SU-101: a Bi(iii)-based metal–organic framework as an efficient heterogeneous catalyst for the CO2 cycloaddition reaction
Authors: Obeso Juan L. , Flores J. Gabriel , Flores Catalina V. , López-Cervantes Valeria B. , Martínez-Jiménez V. , de los Reyes José Antonio , Lima Enrique , Solis-Ibarra Diego , Ibarra Ilich A. , Leyva Carolina , Peralta Ricardo A.
Published: August 2023

A non-porous version of SU-101 (herein n-SU-101) was evaluated for the CO2 cycloaddition reaction.
Harnessing the dual antimicrobial mode of action with a lipophilic Mn(ii) complex using the principle of the Irving–Williams Series to completely eradicate Staphylococcus aurous
Authors: Mudarmah Khalil , Bagale Bijaya , Chen Guanyu , Krause Jeanette A. , Mighion Jeffrey D. , Huang Songping D.
Published: August 2023

Harnessing a dual antimicrobial mode of action in a novel Mn(ii)-complex: teaching an old dog new tricks using the Irving–Williams Series.
G-quadruplex DNA binding properties of novel nickel Schiff base complexes with four pendant groups
Authors: Assadawi Nawal , Richardson Christopher , Ralph Stephen F.
Published: August 2023

The synthesis of nickel Schiff base complexes with four pendant groups, that bind to quadruplex DNA, is reported.
Acetate ion addition to and exchange in (1,5-cyclooctadiene)rhodium(i) acetate: relevance for the coagulation of carboxylic acid-functionalized shells of core-crosslinked micelle latexes
Authors: Fiore Ambra Maria , Petrelli Valentina , Fliedel Christophe , Manoury Eric , Mastrorilli Piero , Poli Rinaldo
Published: August 2023

[Rh(COD)(μ-OAc)]2 reacts with acetate in dichloromethane to produce equilibrium amounts of [Rh(COD)(OAc)2]− and exchanges the acetate ligands with polymer-linked methacrylic acid, rationalizing the coagulation of core-crosslinked micelle latexes.
A highly electrocatalytic, stretchable, and breathable enzyme-free electrochemical patch based on electrospun fibers decorated with platinum nano pine needles for continuous glucose sensing in neutral conditions
Authors: Luo Guoxi , Liu Jielun , Xie Jiaqi , Jing Weixuan , Li Min , Zhao Libo , Li Zhikang , Yang Ping , Jiang Zhuangde
Published: August 2023

We have developed a stretchable, breathable and enzyme-free glucose sensor that was fabricated by electrospinning followed by magnetron sputtering and ultrasonic electrodeposition. The patch exhibited excellent performance under neutral conditions.
Examining the conditioning factors that influence material shear strength of particle deposits in a full-scale drinking water distribution laboratory
Authors: Sass Braga Artur , Filion Yves
Published: August 2023

Experiments with synthetic iron oxide particles in a full-scale pipe system were used to investigate the material shear strength of particulate accumulation. Results highlighted the importance of the pipe wall roughness on the attachment process.
Optimization of indirect wastewater characterization: a hybrid approach based on decision trees, genetic algorithms and spectroscopy
Authors: Carreres-Prieto Daniel , García Juan T. , Carrillo José M. , Vigueras-Rodríguez Antonio
Published: August 2023

The spectral response of wastewater samples allows, through the use of correlation models, to estimate the pollutant load of the samples in a simple, fast and economical way.
Revisiting carotenoids as dietary antioxidants for human health and disease prevention
Authors: Terao Junji
Published: August 2023

Humans are unique indiscriminate carotenoid accumulators, so the role of carotenoids as dietary antioxidants with or without enzymatic conversion attracts renewed attention from the standpoint of health promotion and disease prevention.
Rapid and sensitive detection of alkaline phosphatase and glucose oxidase activity through fluorescence and colorimetric dual-mode analysis based on CuO NPs@ZIF-8 mediated enzyme-cascade reactions
Authors: Chen Guo-Ying , Luo Mao-Ling , Chen Li , Chai Tong-Qing , Wang Jia-Li , Chen Ling-Xiao , Yang Feng-Qing
Published: August 2023

CuO NPs@ZIF-8 with multiple enzyme-like activity is synthesized for the fluorescence and colorimetric dual-mode detection of GOX and ALP activity.
Nanoparticle-induced biomembrane fusion: unraveling the effect of core size on stalk formation
Authors: Brosio Giorgia , Rossi Giulia , Bochicchio Davide
Published: August 2023

We use an ad hoc enhanced sampling procedure to study biomembrane fusion induced by functionalized Au nanoparticles with different core sizes, demonstrating that a smaller core makes the nanoparticles more fusogenic, enhancing the stalk stability.
Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives
Authors: Raji Reddy Chada , Fatima Sana , Kolgave Dattahari H. , Sridhar Balasubramanian
Published: August 2023

The synthesis of phenanthrone derivatives bearing all carbon quaternary centers has been disclosed, involving tandem sulfonylation or thiolation/intramolecular-arylation of biaryl enones with S-radicals.
Developing efficient CuO nanoplate/ZnO nanoparticle hybrid photocatalysts for methylene blue degradation under visible light
Authors: Dien Nguyen Dac , Thu Ha Pham Thi , Vu Xuan Hoa , Trang Tran Thu , Thanh Giang Trinh Duc , Dung Nguyen Thi
Published: August 2023

Photodegradation of methylene blue under green LED using CuO/ZnO hybrid photocatalyst.
Piezo-photocatalytic properties of BaTiO3/CeO2 nanoparticles with heterogeneous structure synthesized by a gel-assisted hydrothermal method
Authors: Li Xia , Zheng Hongjuan , Liu Jingjin , Li Hongcheng , Wang Jing , Yan Kang , Liu Jingsong , Dang Feng , Zhu Kongjun
Published: August 2023

BaTiO3/CeO2 nanoparticles with heterogeneous structure and piezo-photocatalytic properties were successfully synthesized via a gel-assisted hydrothermal method.
Synthesis of a Au/Au NPs-PPy/l-CYs/ZIF-8 nanocomposite electrode for voltammetric determination of insulin in human blood
Authors: Kouhdareh Jamal , Karimi-Nami Rahman , Keypour Hassan , Rabiei Khadijeh , Alavinia Sedigheh , Saremi Shokoufeh Ghahri , Noroozi Mohammad
Published: August 2023

In this work, a modified electrode named Au/Au NPs-PPy/l-CYs/ZIF-8 was designed and built and simultaneously doped into electropolymerized polypyrrole (PPy) film using cyclic voltammetry (CV).
Research progress of metal–organic framework-based material activation of persulfate to degrade organic pollutants in water
Authors: Wen Ruiyang , Shen Guoliang , Meng Linghui
Published: August 2023

The research progress on the removal of pollutants in water by activation of persulfate (SR-AOPs) with different MOFs-based materials was reviewed. The catalytic mechanism of MOFs-based materials was analysed and the future development direction of this technology was prospected.
The relationship between error beliefs in chemistry and chemistry learning outcomes: a chain mediation model investigation
Authors: Huangfu Qian , Luo Zhouying , Cao Ying , Wu Weijia
Published: August 2023

Errors are natural elements of the learning process and provide a high potential to promote students’ learning outcomes. In recent years, there has been much research about learning from errors. However, we know little about the relationship between students’ error beliefs in chemistry and chemistry learning outcomes at present. Thus, the aim of this study was to explore the mechanisms of chemistry behavioral and cognitive engagements, adaptive reactions towards errors in chemistry and error beliefs in chemistry, and offer suggestions to the improvement of students’ chemistry learning outcomes. We assessed all variables in eight different schools in China (N = 1352 students, Grade 10) and used structural equation modelling (SEM) to check the direct and indirect relationships between four variables. Our findings revealed that (1) chemistry behavioral and cognitive engagements, adaptive reactions towards errors in chemistry and error beliefs in chemistry significantly positively predicted students’ chemistry learning outcomes; (2) both (a) adaptive reactions towards errors in chemistry and (b) chemistry behavioral and cognitive engagements acted as significant mediators between error beliefs in chemistry and chemistry learning outcomes; (3) the chain mediating effect of error beliefs in chemistry → adaptive reactions towards errors in chemistry → chemistry behavioral and cognitive engagements → chemistry learning outcomes was significant. Finally, we discussed the important findings, pointed out the educational implications, acknowledged our study's limitations and suggested directions for future study.
Guest-induced pore breathing controls the spin state in a cyanido-bridged framework
Authors: Magott Michał , Płonka Klaudia , Sieklucka Barbara , Dziedzic-Kocurek Katarzyna , Kosaka Wataru , Miyasaka Hitoshi , Pinkowicz Dawid
Published: August 2023

Variation of three different stimuli: the type of guest molecules, temperature and light enables intentional manipulation of the mechanical, electronic and magnetic properties of a cyanido-bridged coordination polymer.
Energy, economic, and environmental impacts assessment of co-optimized on-road heavy-duty engines and bio-blendstocks
Authors: Oke Doris , Sittler Lauren , Cai Hao , Avelino Andre , Newes Emily , Zaimes George G. , Zhang Yimin , Ou Longwen , Singh Avantika , Dunn Jennifer B. , Hawkins Troy R.
Published: August 2023

Renewable MCCI bio-blendstocks with advantageous properties co-optimized with engines and a ducted fuel injection could reduce engine-out emissions leading to reduced total cost of vehicle ownership and a potential to penetrate the market at scale.
Rheology of a 2D granular film
Authors: Lalieu Jonathan , Seguin Antoine , Gauthier Georges
Published: August 2023

We study experimentally the rheology of a macroscopic particle-laden soap film, designated as a “Granular Film”, in the simple shear configuration.
Synergistic enhancement of hydrogen interactions in palladium–silicon–gold metallic glass with multilayered graphene
Authors: Sarac Baran , Ivanov Yurii P. , Putz Barbara , Karazehir Tolga , Mitterer Christian , Greer A. Lindsay , Sarac A. Sezai , Eckert Jürgen
Published: August 2023

Presence of only a few layers of graphene boosts hydrogen intake of Pd-based metallic glass thin films by 2.6 times with 4.5 times higher electrocatalytic hydrogen evolution reaction activity, a tremendous improvement in metal–hydrogen interactions.
Recent advances in aqueous zinc–sulfur batteries: overcoming challenges for sustainable energy storage
Authors: Feng Chenlong , Jiang Xinyuan , Zhou Qiuping , Li Tangsuo , Zhao Yufei , Niu Zhaojian , Wu Yuchao , Zhou He , Wang Mengyao , Zhang Xuecheng , Chen Ming , Ni Lubin , Diao Guowang , Wei Yongge
Published: August 2023

This review outlines recent progress in aqueous zinc–sulfur batteries, highlighting electrolyte modification, additive engineering, and cathode enhancements. It also proposes future research directions to inspire solutions for overcoming challenges.
Li4B10H10B12H12 as solid electrolyte for solid-state lithium batteries
Authors: Garcia Andrea , Müller Gian , Černý Radovan , Rentsch Daniel , Asakura Ryo , Battaglia Corsin , Remhof Arndt
Published: August 2023

The ionic conductivity of Li4B10H10B12H12 exceeds that of its parent compounds Li2B10H10 and Li2B12H12 by several orders of magnitude. It is stable against lithium metal and has been incorporated into solid-state batteries.
Unveiling the reaction mechanism of capacity reactivation in silver vanadate cathodes for aqueous zinc-ion batteries
Authors: Wang Ziqing , Diao Jiefeng , Kawashima Kenta , Weeks Jason A. , Vaidyula Rinish Reddy , Marquez Raul A. , Miller Nathaniel , Henkelman Graeme , Mullins C. Buddie
Published: August 2023

Capacity reactivation involves the reconstruction of the cathode. Zn3(OH)2V2O7·2H2O, showing intercalation pseudocapacitive behavior, forms in situ on the Ag0.33V2O5 cathode to prevent cathodic dissolution and activate the capacity.
Correction: Constructing a rhenium complex supported on g-C3N4 for efficient visible-light-driven photoreduction of CO2 to CO via a novel Z-scheme heterojunction
Authors: Nguyen Phuong Ngoc , Tran Trang Thanh , Thi Nguyen Quynh Anh , Kawazoe Yoshiyuki , Vattikuti S. V. Prabhakar , Le Long V. , Bui Viet Quoc , Nguyen Tuan Manh , Nguyen Dang Nam
Published: August 2023

Correction for ‘Constructing a rhenium complex supported on g-C3N4 for efficient visible-light-driven photoreduction of CO2 to CO via a novel Z-scheme heterojunction’ by Phuong Ngoc Nguyen et al., J. Mater. Chem. A, 2023, https://doi.org/10.1039/d3ta01502e.
Impacts of high-contrast image processing on atmospheric retrievals
Authors: Nasedkin E. , Mollière P. , Wang J. , Cantalloube F. , Kreidberg L. , Pueyo L. , Stolker T. , Vigan A.
Published: August 2023

Many post-processing algorithms have been developed in order to better separate the signal of a companion from the bright light of the host star, but the effect of such algorithms on the shape of exoplanet spectra extracted from integral field spectrograph data is poorly understood. The resulting spectra are affected by noise that is correlated in wavelength space due to both optical and data processing effects. Within the framework of Bayesian atmospheric retrievals, we aim to understand how these correlations and other systematic effects impact the inferred physical parameters. We consider three algorithms (KLIP, PynPoint, and ANDROMEDA), optimising the choice of algorithmic parameters using a series of injection tests on archival SPHERE and GPI data of the HR 8799 system. The wavelength-dependent covariance matrix was calculated to provide a measure of instrumental and algorithmic systematics. We perform atmospheric retrievals using petit RADTRANS on optimally extracted spectra to measure how these data processing systematics influence the retrieved parameter distributions. The choice of data processing algorithm and parameters significantly impact the accuracy of retrieval results, with the mean posterior parameter bias ranging from 1 to 3σfrom the true input parameters. Including the full covariance matrix in the likelihood improves the accuracy of the inferred parameters, and cannot be accounted for using ad hoc scaling parameters in the retrieval framework. Using the Bayesian information criterion and other statistical measures as heuristic goodness-of-fit metrics, the retrievals including the full covariance matrix are favoured when compared to using only the diagonal elements.
Impact of satellite trails on H.E.S.S. astronomical observations
Authors: Lang T. , Spencer S. T. , Mitchell A. M. W.
Published: August 2023

Context. The number of satellites launched into Earth’s orbit has almost tripled in the last three years (to over 4000) due to the increasing commercialisation of space. Multiple satellite constellations, consisting of over 400 000 individual satellites, have either been partially launched or are proposed for launch in the near future. Many of these satellites are highly reflective, resulting in a high optical brightness that affects ground-based astronomical observations. Despite this caveat, the potential effect of these satellites on gamma-ray-observing Imaging Atmospheric Cherenkov Telescopes (IACTs) has largely been assumed to be negligible due to their nanosecond-scale integration times. However, this assumption has not been verified to date.

Aims. As IACTs are sensitive to optical wavelength light, we aim to identify satellite trails in data taken by the High Energy Stereoscopic System (H.E.S.S.) IACT array. In particular, this study is aimed at quantifying the potential effects on data quality and extensive air shower event classification and reconstruction.

Methods. Using night sky background measurements from H.E.S.S., we determined which observation times and pointing directions are affected most by these satellite trails. We then evaluated their impact on the standard Hillas parameter variables used for event analysis.

Results. Due to the brightest trails, false trigger events can occur, however, for most modern analyses, the effect on astronomical results will be minimal. We observe a mild increase in the rate of trail detections over time (approximately doubling in three years), which is partially correlated with the number of satellite launches. Overall, the fraction of H.E.S.S. data affected (~0.2% of dark time observations) is currently minimal. We note that these trails could still have a non-negligible effect on future Cherenkov Telescope Array observations if advanced analysis techniques designed to lower the energy threshold of the instrument are applied.
An In Vitro Model for Hemostasis Monitoring During Simulated Cardiopulmonary Bypass
Authors: Beck Daniel J. , Dickes Melinda S. , Jones Clinton C. , Pierce Michelle L. , Song Zuorui , Taft Kimberly J. , Stammers Alfred H.
Published: August 2023

The optimum model for hemostasis monitoring during cardiopulmonary bypass (CPB) is the evaluation of physiologic changes in the intact organism. This is often logistically difficult and expensive. The purpose of this study was to design an in vitro model of blood coagulation for use in simulated CPB.

Human expired blood components within 4 days of outdating were reconstitituted as follows: 4 units of packed red blood cells, 4 units of platelets, and 3 units of fresh frozen plasma. The mixture was circulated in a simulated extracorporeal circuit. Blood samples were drawn every 30 minutes over a 2 hour period, recalcified, and analyzed for platelet count (PL T), fibrinogen concentration (FIB), prothrombin time (PT), activated partial thromboplastin time (aPTT), celite and kaolin activated clotting times (ACT), and thrombelastography (TEG).

In the four different coagulation monitors utilized, there were no significant changes in celite or kaolin ACTs. PT increased from 15.8 ± 1.1 sec to 25.2 ± 7.8 sec and aPTT from 62.1 ± 15.9 sec to 78.9 ± 36.5 sec (p = NS). There were no changes in either PL T count or FIB concentration. Both celite and tissue factor activated TEG values trended towards hypocoagulability.

In conclusion, the results show that the in vitro model is stable over 120 min of recirculation time within a simulated cardiopulmonary bypass circuit in regards to platelet count, hematocrit, total protein, PT, aPTT, and ACT. Further examination will be necessary to establish the effects of the model in regard to platelet function.
Whole Blood Platelet function Assay on the /CHORTM Point-of-Care Hematology Analyzer
Authors: Carville David G.M. , Schleckser Patricia A. , Guyer Kirk E. , Corsello Michael , Walsh Mark M.
Published: August 2023

The role of platelets as the initial defense against insult to the vasculature is well established. Moreover, platelets are now recognized as having a critical role in the acute care settings of cardiopulmonary bypass (CPB) procedures and cardiac catheterization. In the environment of CPB, both platelet count and function have been demonstrated as being markedly compromised during and following the procedure. Unfortunately, current assays that are used to evaluate the parameters of platelet count and function are limited in regard to their utility in a near patient format. Here, we describe a practical, rapid, and user-friendly whole blood platelet function assay that has been developed for the ICHOR™ point-of-care hematology analyzer. This analyzer is capable of performing an eight parameter blood profile including platelet count. In comparable studies, platelet aggregation in whole blood demonstrated good correlation (for ADP the values were n=14, r2=0.81, p=0.0001; for collagen, n=10, r2=0.93, p=0.0001; for ristocetin, n=10, r2=0.89, p=0.0001; and for epinephrine, n=10, r2=0.81, p=0.0003) with traditional platelet-rich aggregometry, which uses increased light transmission as an indication of platelet aggregation. Furthermore, early feasibility studies in CPB patients demonstrated both decreased platelet count and a marked reduction in platelet function peri-procedurally. This new assay of platelet function is extremely suitable for the clinical environment with rapid turnaround time and provides a full hematology profile to enhance transfusion decisions.