bluuebunny/crossref_metadata_2025 huggingface dataset:
Updating and profiling the natural product‐likeness of Latin American compound libraries**
Authors: Gómez‐García Alejandro , Prinz Ann‐Kathrin , Jiménez Daniel A. Acuña , Zamora William J. , Barazorda‐Ccahuana Haruna L. , Chávez‐Fumagalli Miguel Á. , Valli Marilia , Andricopulo Adriano D. , da S. Bolzani Vanderlan , Olmedo Dionisio A. , Solís Pablo N. , Núñez Marvin J. , Rodríguez Pérez Johny R. , Sánchez Hoover A. Valencia , Cortés Hernández Héctor F. , Mosquera Martinez Oscar M. , Koch Oliver , Medina‐Franco José L.
Published: June 2024

Compound databases of natural products play a crucial role in drug discovery and development projects and have implications in other areas, such as food chemical research, ecology and metabolomics. Recently, we put together the first version of the Latin American Natural Product database (LANaPDB) as a collective effort of researchers from six countries to ensemble a public and representative library of natural products in a geographical region with a large biodiversity. The present work aims to conduct a comparative and extensive profiling of the natural product‐likeness of an updated version of LANaPDB and the individual ten compound databases that form part of LANaPDB. The natural product‐likeness profile of the Latin American compound databases is contrasted with the profile of other major natural product databases in the public domain and a set of small‐molecule drugs approved for clinical use. As part of the extensive characterization, we employed several chemoinformatics metrics of natural product likeness. The results of this study will capture the attention of the global community engaged in natural product databases, not only in Latin America but across the world.
Recurrence Patterns of Advanced Cutaneous Squamous Cell Carcinoma of the Head and Neck
Authors: Bellamkonda Nikhil , Kull Amanda , Monroe Marcus M.
Published: June 2024

Objective

The objective of this study was to describe risk factors and recurrence patterns that can guide the creation of evidence‐based surveillance guidelines for advanced cutaneous squamous cell carcinoma of the head and neck.

Study Design

This was a single‐institution retrospective case series.

Setting

High‐volume academic head and neck surgical oncology practice.

Methods

Patients who underwent surgery for cutaneous squamous cell carcinoma of the head and neck staged Brigham and Women's Hospital T2b and T3 from 2003 to 2023 were reviewed. Patient demographics, clinicopathologic history, cancer data, treatment, and outcomes were abstracted. Disease‐free survival and risk factors for recurrence were described.

Results

A total of 183 patients were included. Fifty‐six (30.6%) experienced recurrence. This included local recurrence in 21 (11.5%), regional in 21 (13.3%), and distant in 11 (6%). The majority of regional and distant recurrences occurred within 1 year of surgery.

Conclusion

The majority of disease recurrence occurs in the first 1 to 2 years following surgical excision of advanced‐stage cutaneous squamous cell carcinoma of the head and neck. Close surveillance and frequent imaging within those years are critical to catch subclinical and distant diseases.
3D Genial Tubercle Anatomic Considerations in Genioglossus Advancement Surgery
Authors: Punjabi Nihal , Vacaru Alexandra , Inman Jared C.
Published: June 2024

Objective

To qualitatively describe variation in morphology of the genial tubercle and quantify the spatial relationship between the tubercle and genioglossus muscle.

Study Design

Case series.

Setting

Cadaver dissection.

Methods

Segmental sections of the mandible, with muscular attachments intact, were harvested from 18 fresh cadaver heads. Three‐dimensional laser scans, with a resolution of 0.025 mm, were taken of each specimen with muscle attached and repeated after muscle removal. The genioglossus muscular attachment was measured relation to bony landmarks.

Results

The morphology of the genial tubercle varied, with anywhere from 1 large spine to 4 individual spines. However, all specimens had a distinguishable superior portion of the tubercle, where the genioglossus attached, and an inferior portion, where the geniohyoid attached. The height of the superior tubercle (ST) was 6.1 mm (95% confidence inerval [CI]: 5.7‐6.5). The height of the genioglossus muscle above the peak amplitude of the ST was 4.3 mm (3.8‐4.9), but only 2.5 mm (2.0‐3.0) below. On average, 64.4% (58.6‐70.2) of the height of the genioglossus muscle attachment was above the peak. Overall, 19.5% (14.1‐25.0) of the muscle surface area extended beyond the boundaries of the tubercle.

Conclusion

The genioglossus muscle attachment originates from the superior genial tubercle, which has a variable topography and amplitude. However, the muscle is not centered on the spines–more of the muscular fibers attach above the spine as compared to below. This new data may explain the genioglossus advancement “miss rate”–failure to advance muscle on initial osteotomy–of 39‐78% reported in the literature.
In‐situ polymerization modified calcium sulfate whiskers and their application in PP composites research
Authors: Gao Xuan , Wang Mingwei , Cao Jianxin , Xiao Rengui , Yang Chunliang , Xie Guiming
Published: June 2024

Calcium sulfate whiskers (CSW) exhibit significant surface polarity and high surface energy, leading to aggregation when directly incorporated into polymer matrices, significantly affecting the mechanical properties of the composites. Sodium oleate (SO) was used to modify CSW, introducing –C=C– active groups on the surface, followed by in‐situ graft polymerization of sodium oleate‐modified CSW (SO‐CSW) with methyl methacrylate (MMA) to prepare CSW‐g‐PMMA composites. The modification mechanism of SO and PMMA on CSW, as well as the surface modification effects on CSW, were studied using DRIFT, XRD, XPS and TEM. The results show that oleic acid ions adsorb onto the surface of CSW in two forms. One is chemisorption, in which the oleic acid ions are adsorbed on the calcium ions site on the surface of CSW in a bridging way. The other is physical adsorption, oleic acid ions and dissolved calcium ions in the form of precipitation adsorbed on the outermost layer of CSW. After in‐situ polymerization, PMMA was successfully grafted onto the surface of CSW, and the thickness of the surface PMMA coating layer was approximately 67 nm. CSW‐g‐PMMA was used as a filler in the melt blending with polypropylene (PP) to prepare PP composites. CSW‐g‐PMMA mainly toughens and enhances the mechanical properties of PP composites in the form of crack bridging, crack deflection and pull‐out effect.

Highlights

The mechanism of sodium oleate modified calcium sulfate whisker (CSW) has been investigated. One is chemical adsorption that the oleic acid ions are adsorbed on the calcium ions site on the CSW surface in a bridge way. The other is physical adsorption that oleic acid ions and dissolved calcium ions are adsorbed in the form of precipitation on the outer layer of CSW.

After the modification of sodium oleate, the active group –C=C– was introduced on the surface of CSW, and then the PMMA long chain polymer was grafted with an in‐situ polymerization to form a PMMA coating layer with a thickness of about 67 nm, which significantly improved the hydrophobicity of CSW surface.

After modification with sodium oleate and PMMA grafting, the modified CSW significantly toughened and enhanced the mechanical properties of PP composites in the form of crack bridging, crack deflection and pull‐out effect.
Factor analysis on property enhancement of electrically/thermally conductive composites by continuous forced assembly
Authors: An Yi , Liu Jiaming , Wang Shengli , Li Ning , Li Yajiao , Chen Yuanmin , Wu Daming , Wang Xiaoli , Sun Jingyao
Published: June 2024

Currently, with the development of many important fields such as aerospace and automotive industries, polymer composites have become an indispensable part of these fields. As for preparation methods, common methods like hot pressing make composites difficult to achieve continuous production. This paper proposed the continuous forced assembly (CFA) and designed continuous production facility, which can achieve the continuous preparation of low filler content (30 wt%) composites with high electrical/thermal conductivity. Besides, we structurally designed roll pressing device and explored its effect on the machining process. Here, short cut carbon fiber (SCF) and solid silica gel (MVQ) are used as electrically/thermally conductive filler and polymer matrix respectively, and continuous preparation of functional composites is completed by CFA method. Compared to the thermal conductivity (1.186 W/(m·K)) of SCF/MVQ composites prepared with lower viscosity matrix (MVQ‐A), the thermal conductivity of composites prepared with high viscosity matrix (MVQ‐D) reached 2.230 W/(m·K). Meanwhile, the process is optimized to explore the effects of the “accordion folding” and “pre‐stretch” methods on the thermal conductivity of composites, the thermal conductivity is converted from in‐plane to vertical direction. In addition, under the same filler content, 2 wt% rGO is beneficial in enhancing the electrical/thermal conductivity of prepared composites. The electrical conductivity and thermal conductivity of SCF28/rGO2/MVQ composite reach 663 S/m and 2.82 W/(m·K), which is higher than that of the properties of SCF/MVQ composite with the same filler content. To sum up, CFA facilitates continuous production of composites, which can be used in thermal management materials (TMMs).

Highlights

Compared with the “pre‐stretch” method, the thermal conductivity of SCF/MVQ composites prepared by “accordion folding” has a significant improvement.

The SCF/rGO/MVQ composites prepared by CFA method show superior thermal conductivity and electrical conductivity.

Composites prepared by CFA method can realize the continuous preparation of functional materials.
The role of the fiber–matrix interface in the tensile properties of short fiber–reinforced 3D‐printed polylactic acid composites
Authors: Tóth Csenge , Lukács Norbert László , Kovács Norbert Krisztián
Published: June 2024

In this study, we investigate the relationship between structure and properties of fiber–matrix adhesion for material extrusion–based 3‐dimensional (3D) printed composites. We examine the influence of fiber length and fiber content on the tensile properties of glass, basalt, and carbon fiber–reinforced polylactic acid (PLA) composites. Short fiber–reinforced filaments were produced, then, simple micromechanical models were used to predict the in‐plane tensile properties. We found that interlayer tensile properties are strongly influenced by fiber–matrix adhesion. If adhesion is sufficient, the fibers and matrix deform together under tensile load. A second‐order relationship describes interlayer tensile strength in relation to fiber content between 5 and 25 w%, with a maximum at 15 w%, for carbon and basalt fiber–reinforced composites. If adhesion is weak, the crack propagates along the fiber–matrix interface, causing brittle fracture and low strength. This behavior was noted for the glass fiber composite, for which the calculated interface shear strength was the lowest (1.4 MPa). In this case, fiber content is inversely proportional to interlayer tensile strength. Our results show the role of fiber–matrix adhesion quality on tensile properties, which has a major impact on both the accuracy of predictions and the damage processes.

Highlights

Critical fiber length determines accuracy of tensile property estimates

Quality of fiber–matrix adhesion governs interlayer damage process

Poor adhesion causes brittle fracture and low strength

Second‐order relationship of interlayer tensile strength and fiber content

Loss of interlayer tensile strength in composite due to fiber–matrix interface
Silicone‐containing polyurea elastomer possessing main‐chain boron–oxygen bonds with delayed stress relaxation and improved adhesive properties
Authors: Zhang Shilong , Xiong Youhao , Wang Yangwei , Ma Yuqi , Li Jialiang , Jiang Chaobo , Wang Ce , Zhu Yanling , Zhao Yongsheng , Zhang Guangcheng
Published: June 2024

Polyurea (PU) elastomers have attracted considerable attention in the field of protective polymeric coatings. In this work, a dithiol‐terminated boronic ester was synthesized and used to incorporate dynamic boron–oxygen (B–O) bonds in the PU main chain based on thiol isocyanate while amino‐terminated polydimethylsiloxane (PDMS) was introduced to retain good chain flexibility. The modified PU elastomer was found to have a microphase‐separated structure in which the hard blocks served as physical crosslinks. The glass transition temperature (Tg) slightly increases when dynamic B–O bonds exist while further introduction of PDMS soft segment can lower Tg to −55.63 °C. The introduction of dynamic B–O bonds and diminished hydrogen bonding led to a decrease in mechanical strength and elongation at break. Interestingly, the simultaneous incorporation of PDMS and dynamic B–O bonds is favorable for strain rate dependence and suppressing stress relaxation. The potential for bond‐exchange interactions between the dynamic B–O bonds and hydroxyl groups on metal surfaces substantially improved the adhesion of the PU elastomer to metal substrates. Therefore, our work can offer valuable insights for the structural design of functional PU coatings tailored for anti‐impact applications. © 2024 Society of Chemical Industry.
Enhancing children's well‐being using Malaysian‐adapted version Super Skills for life (M‐SSL) among primary school children in Malaysia
Authors: Chen Yoke Y. , Ting Chuong H. , Ghazali Siti R. , Ling Ang A.
Published: June 2024

With the increasing prevalence of mental health issues among children, there is a growing need to implement school‐based preventive programs for emotional well‐being in Malaysia. Super Skills for Life (SSL) is a transdiagnostic preventive program designed based on the cognitive‐behavioral therapy concept to address emotional problems among children. This study examined the effectiveness of the M‐SSL program in reducing depressive and anxiety symptoms as well as other psychological issues such as social competency, worries, cognitive and emotional regulation in a sample of Malaysian children between the ages of 10 and 12. A quasi‐experimental preintervention and postintervention research design was conducted. A total of 165 primary school children (M = 10.9, SD = 0.72) were recruited with 88 of them randomly assigned to the intervention group. All of them were asked to complete a questionnaire consisting of demographic data, the Centre for Epidemiologic Studies Depression Scale Revised, Spencer Children's Anxiety Scale, Strength and Difficulties Questionnaires, Social Skills Questionnaires and Cognitive Emotional Regulation Questionnaires. Children in the M‐SSL group significantly reported lower levels of depressive scores during follow‐up assessment compared to the children in the control group. They also showed significant improvement in their depressive subscale scores, social worries scores, and the way they perceived an event as compared to the control group. These findings provide initial support for the effects of M‐SSL, suggesting that it is a valuable resource for the prevention of depressive symptoms and for improving social worries among children.
The activation of Chlamydomonas reinhardtii alpha amylase 2 by glutamine requires its N‐terminal aspartate kinase–chorismate mutase–tyrA (ACT) domain
Authors: Scholtysek Lisa , Poetsch Ansgar , Hofmann Eckhard , Hemschemeier Anja
Published: June 2024

The coordination of assimilation pathways for all the elements that make up cellular components is a vital task for every organism. Integrating the assimilation and use of carbon (C) and nitrogen (N) is of particular importance because of the high cellular abundance of these elements. Starch is one of the most important storage polymers of photosynthetic organisms, and a complex regulatory network ensures that biosynthesis and degradation of starch are coordinated with photosynthetic activity and growth. Here, we analyzed three starch metabolism enzymes of Chlamydomonas reinhardtii that we captured by a cyclic guanosine monophosphate (cGMP) affinity chromatography approach, namely, soluble starch synthase STA3, starch‐branching enzyme SBE1, and α‐amylase AMA2. While none of the recombinant enzymes was directly affected by the presence of cGMP or other nucleotides, suggesting an indirect binding to cGMP, AMA2 activity was stimulated in the presence of L‐glutamine (Gln). This activating effect required the enzyme's N‐terminal aspartate kinase–chorismate mutase–tyrA domain. Gln is the first N assimilation product and not only a central compound for the biosynthesis of N‐containing molecules but also a recognized signaling molecule for the N status. Our observation suggests that AMA2 might be a means to coordinate N and C metabolism at the enzymatic level, increasing the liberation of C skeletons from starch when high Gln levels signal an abundance of assimilated N.
Airway management in infants with Robin sequence in the United Kingdom and Ireland: A prospective population‐based study
Authors: Wright Marie , Knowles Rachel L. , Cortina‐Borja Mario , Javadpour Sheila , Mehendale Felicity V. , Urquhart Don S.
Published: June 2024

Objective

There is currently no consensus about managing upper airway obstruction (UAO) in infants with Robin sequence (RS), in terms of treatment efficacy or clinical outcomes. This study describes UAO management in UK/Ireland, and explores relationships between patient characteristics, UAO management, and clinical outcomes in the first 2 years of life.

Methods

Active surveillance of RS throughout UK/Ireland via the British Paediatric Surveillance Unit and nationally commissioned cleft services. Clinical data were collected at initial notification and 12‐month follow‐up.

Results

173 infants with RS were identified, of which 47% had additional congenital anomalies or an underlying syndrome (non‐isolated RS). Two‐thirds (n = 119) required an airway intervention other than prone positioning: non‐surgical in 84% and surgical (tracheostomy) in 16%. Nasopharyngeal airway (NPA) was the most common intervention, used in 83% (n = 99) for median 90 days (IQR 136). Surgical UAO management was associated with prolonged hospital admission, higher prevalence of neurodevelopmental delay (NDD), lower weight‐for‐age z‐scores, and delayed oral feeding. These findings were not attributable to a higher prevalence of non‐isolated RS in this group. Although more commonly associated with non‐isolated RS, growth faltering was also identified in 48%, and NDD in 18%, of cases of isolated RS.

Conclusions

In UK/Ireland, most infants with RS are managed with NPA, and tracheostomy is reserved for refractory severe UAO. Clinical outcomes and duration of use indicate that NPA is a safe and feasible first‐line approach to UAO. Longitudinal assessment of neurodevelopment and growth is imperative, including in children with isolated RS. Current variations in practice reinforce the need for evidence‐based treatment guidelines.
Asciminib, a novel allosteric inhibitor of BCR‐ABL1, shows synergistic effects when used in combination with imatinib with or without drug resistance
Authors: Okamoto Naoki , Yagi Kenta , Imawaka Sayaka , Takaoka Mayu , Aizawa Fuka , Niimura Takahiro , Goda Mitsuhiro , Miyata Koji , Kawada Kei , Izawa‐Ishizawa Yuki , Sakaguchi Satoshi , Ishizawa Keisuke
Published: June 2024

In the treatment of chronic myeloid leukemia (CML), resistance to BCR‐ABL inhibitors makes it difficult to continue treatment and is directly related to life expectancy. Therefore, asciminib was introduced to the market as a useful drug for overcoming drug resistance. While combining molecular targeted drugs is useful to avoid drug resistance, the new BCR‐ABL inhibitor asciminib and conventional BCR‐ABL inhibitors should be used as monotherapy in principle. Therefore, we investigated the synergistic effect and mechanism of the combination of asciminib and imatinib. We generated imatinib‐resistant cells using the human CML cell line K562, examined the effects of imatinib and asciminib exposure on cell survival using the WST‐8 assay, and comprehensively analyzed genetic variation related to drug resistance using RNA‐seq and real‐time PCR. A synergistic effect was observed when imatinib and asciminib were combined with or without imatinib resistance. Three genes, GRRP1, ESPN, and NOXA1, were extracted as the sites of action of asciminib. Asciminib in combination with BCR‐ABL inhibitors may improve the therapeutic efficacy of conventional BCR‐ABL inhibitors and prevent the development of resistance. Its dosage may be effective even at minimal doses that do not cause side effects. Further verification of this mechanism of action is needed. Additionally, cross‐resistance between BCR‐ABL inhibitors and asciminib may occur, which needs to be clarified through further validation as soon as possible.
Defect‐Induced Localized Excitons and Raman Modes in Monolayer MoSe2
Authors: Tang Zhiyuan , Luo Siwei , Guo Gencai , Huang Xixi , Peng Yan , Tang Xu , Chen Qiong , Qi Xiang , Zhong Jianxin
Published: June 2024

In monolayer transition metal dichalcogenides, defects, such as chalcogen vacancies, play an important role in determining their properties. Herein, monolayer MoSe2 with varying Se vacancy concentrations is successfully prepared by adjusting the amount of the precursors during the chemical vapor deposition synthesis. The Raman and low‐temperature photoluminescence spectra are systematically studied at varying defect concentrations. Furthermore, it is found that Se vacancies introduce in‐gap electronic states, leading to distinct localized exciton emissions, which can be engineered by controlling the concentration of Se vacancies. Density functional theory calculations indicate that the observed variations in localized exciton emission are attributed to the change of defect level with increasing defect concentration. The results provide insights into the influence of varying Se vacancy concentrations on defect‐induced Raman and PL spectroscopy in MoSe2.
A comprehensive evaluation of large language models in mining gene relations and pathway knowledge
Authors: Azam Muhammad , Chen Yibo , Arowolo Micheal Olaolu , Liu Haowang , Popescu Mihail , Xu Dong
Published: June 2024

Understanding complex biological pathways, including gene–gene interactions and gene regulatory networks, is critical for exploring disease mechanisms and drug development. Manual literature curation of biological pathways cannot keep up with the exponential growth of new discoveries in the literature. Large‐scale language models (LLMs) trained on extensive text corpora contain rich biological information, and they can be mined as a biological knowledge graph. This study assesses 21 LLMs, including both application programming interface (API)‐based models and open‐source models in their capacities of retrieving biological knowledge. The evaluation focuses on predicting gene regulatory relations (activation, inhibition, and phosphorylation) and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway components. Results indicated a significant disparity in model performance. API‐based models GPT‐4 and Claude‐Pro showed superior performance, with an F1 score of 0.4448 and 0.4386 for the gene regulatory relation prediction, and a Jaccard similarity index of 0.2778 and 0.2657 for the KEGG pathway prediction, respectively. Open‐source models lagged behind their API‐based counterparts, whereas Falcon‐180b and llama2‐7b had the highest F1 scores of 0.2787 and 0.1923 in gene regulatory relations, respectively. The KEGG pathway recognition had a Jaccard similarity index of 0.2237 for Falcon‐180b and 0.2207 for llama2‐7b. Our study suggests that LLMs are informative in gene network analysis and pathway mapping, but their effectiveness varies, necessitating careful model selection. This work also provides a case study and insight into using LLMs das knowledge graphs. Our code is publicly available at the website of GitHub (Muh‐aza).
Integrated photothermal microcarriers for precise exosome‐secreted microRNA profiling in breast cancer diagnosis
Authors: Shi Yunjie , Cheng Yun , Chen Peiyu , Zhang Lexiang , Ye Fangfu
Published: June 2024

Breast cancer constitutes a significant global health burden, while conventional diagnosis approaches may lack precision and can be discomforting for patients. Exosomes have emerged as promising biomarkers for breast cancer due to their participation in diverse pathological processes, and a convenient analysis platform is believed to greatly promote its application. In this study, we propose a novel digital PCR approach utilizing near‐infrared (NIR) photo‐responsive thermosensitive microcarriers integrated with black phosphorus for quantifying microRNA (miRNA) biomarkers within exosomes. Petal‐like biomimetic nanomaterials were firstly assembled for non‐specific exosome capture based on the affinity effect of avidin and biotin. Photothermal‐responsive microcarriers, fabricated using gelatin‐based substrates blended with photothermal nanocomposite, exhibited NIR‐induced heating and reversible phase transition properties. We optimized synthesis parameters on thermal response and established a programmable and controllable NIR light source module. The results indicated a significant elevation in the levels of biomarkers miRNA‐1246 and miRNA‐122, with fold increases ranging from 6.2 to 23.6 and 5.9 to 13.0, respectively, in breast cancer cell lines MCF‐7 and MDA‐MB‐231 compared to healthy control cells HUVEC. This study offers broad prospects for utilizing exosomes to resolve predictive biomarkers.
Advancing environmental sustainability: The dynamic relationship between renewable energy, institutional quality, and ecological footprint in the N‐11 countries
Authors: Addai Godfred , Amegavi George Babington , Robinson Guy
Published: June 2024

The goal of simultaneously increasing economic development while mitigating ecological disbenefits is a significant challenge for many countries. There is a growing recognition that greater attention must be given to environmental concerns to maintain and improve biodiversity and generate positive ecological outcomes as part of measures to meet the United Nations' Sustainable Development Goals (SDGs). Many countries have increased their reliance on renewable energy to reduce carbon emissions and overall ecological footprint, but it is argued that any positive relationship between economic growth and pro‐environmental outcomes relies heavily on the quality of a country's institutions. This paper investigates this contention, focusing on the so‐called Next 11 (N‐11) countries, that is those developing countries exhibiting the most rapid economic development in the last three decades. Using the cross‐sectionally augmented autoregressive distributed lags (CS‐ARDL) technique to address cross‐sectional dependence in panel data, this paper examines the effects of renewable energy and institutional quality on the ecological footprint of the N‐11 countries from 1990 to 2022. It shows that while economic growth frequently generates environmental degradation, increasing consumption of renewable energy reduces the ecological footprint provided that institutional quality contributes positively to pro‐environmental outcomes. This analysis highlights the important role of institutional quality when designing policies to promote environmental sustainability. The results provide a benchmark for policymakers in the N‐11 countries to increase investment in renewable energy resources to help deliver environmental sustainability goals while also emphasising the need for governments to develop improved institutional quality.
Hofmeister Effect‐Assisted Facile Fabrication of Self‐Assembled Poly(Vinyl Alcohol)/Graphite Composite Sponge‐Like Hydrogel for Solar Steam Generation
Authors: Yang Mohan , Wu Yaowei , Chen Mengdie , Wang Yuhao , Zhang Lei , Deng Yingxue , Ye Dezhan , Zhan Yanhu , Xiao Gao , Jiang Xiancai
Published: June 2024

The use of hydrogel‐based interfacial solar evaporators for desalination is a green, sustainable, and extremely concerned freshwater acquisition strategy. However, developing evaporators that are easy to manufacture, cheap, and have excellent porous structures still remains a considerable challenge. This work proposes a novel strategy for preparing a self‐assembling sponge‐like poly(vinyl alcohol)/graphite composite hydrogel based on the Hofmeister effect for the first time. The sponge‐like hydrogel interfacial solar evaporator (PGCNG) is successfully obtained after combining with graphite. The whole process is environmental‐friendly and of low‐carbon free of freezing process. The PGCNG can be conventionally dried and stored. PGCNG shows impressive water storage performance and water transmission capacity, excellent steam generation performance and salt resistance. PGCNG has a high evaporation rate of 3.5 kg m−2 h−1 under 1 kW m−2 h−1 solar irradiation and PGCNG demonstrates stable evaporation performance over both 10 h of continuous brine evaporation and 30 cycles of brine evaporation. Its excellent performance and simple, scalable preparation strategy make it a valuable material for practical interface solar seawater desalination devices.
Bio‐Sprayed/Threaded Microalgae Remain Viable and Indistinguishable from Controls
Authors: Cui Jing , Eddaoudi Ayad , Purton Saul , Jayasinghe Suwan N.
Published: June 2024

Microalgae are increasingly playing a significant role in many areas of research and development. Recent studies have demonstrated their ability to aid wound healing by their ability to generate oxygen, aiding the healing process. Bearing this in mind, the capability to spray/spin deposit microalgae in suspension (solution) or compartmentalize living microalgae within architectures such as fibers/scaffolds and beads, would have significance as healing mechanisms for addressing a wide range of wounds. Reconstructing microalgae‐bearing architectures as either scaffolds or beads could be generated via electric field (bio‐electrospraying and cell electrospinning) and non‐electric field (aerodynamically assisted bio‐jetting/threading) driven technologies. However, before studying the biomechanical properties of the generated living architectures, the microalgae exposed to these techniques must be interrogated from a molecular level upward first, to establish these techniques, have no negative effects brought on the processed microalgae. Therefore these studies, demonstrate the ability of both these jetting and threading technologies to directly handle living microalgae, in suspension or within a polymeric suspension, safely, and form algae‐bearing architectures such as beads and fibers/scaffolds.
Unlocking Potential of Pyrochlore in Energy Systems via Soft Voting Ensemble Learning
Authors: Tao Kehao , Wang Zhilong , Chen An , Han Yanqiang , Liu Jinyun , Zhang Xitian , Li Jinjin
Published: June 2024

In traditional machine learning (ML)‐based material design, the defects of low prediction accuracy, overfitting and low generalization ability are mainly caused by the training of a single ML model. Here, a Soft Voting Ensemble Learning (SVEL) approach is proposed to solve the above issues by integrating multiple ML models in the same scene, thus pursuing more stable and reliable prediction. As a case study, SVEL is applied to develop the broad chemical space of novel pyrochlore electrocatalysts with the molecular formula of A2B2O7, to explore promising pyrochlore oxides and accelerate predictions of unknown pyrochlore in the periodic table. The model successfully established the structure‐property relationship of pyrochlore, and selected six cost‐effective pyrochlore from the periodic table with a high prediction accuracy of 91.7%, all of which showed good electrocatalytic performance. SVEL not only effectively avoids the high costs of experimentation and lengthy computations, but also addresses biases arising from data scarcity in single models. Furthermore, it has significantly reduced the research cycle of pyrochlore by ≈ 22 years, offering broad prospects for accelerating the development of materials genomics. SVEL method is intended to integrate multiple AI models to provide broader model training clues for the AI material design community.
What Matters to Fabrication of Type II Porous Liquids: A Case Study on Metallocages and Bulky Ionic Liquid?
Authors: Dinker Manish Kumar , Li Meng‐Meng , Liu Yang , Zuo Mingrui , Ding Lifeng , Kou Jiahui , Sun Lin‐Bing
Published: June 2024

Porosity in bulky solvents can be created by the methods of dispersing and dissolving porous hosts or by their chemical adornment. And the ensuing liquids with cavities offer requisite high gas uptakes. Intriguingly, metal–organic cages (MOCs) as discrete nanoporous hosts have been utilized recently as soluble entities to obtain a series of interesting type II porous liquids (PLs). Yet, factors affecting the fabrication of type II PLs have not been disclosed. Herein, three metallocages (NUT‐101, ZrT‐1‐NH2, and ZrT‐1) with the same zirconocene nodes but different organic ligands are chosen as porous hosts and a polyethylene‐glycol (PEG) linked bis‐imidazolium based IL, IL(NTf2), is used as a bulky solvent. It is revealed for the first time that the generation of type II PL depends upon the flexibility of MOCs and the interaction between MOCs and solvent molecules. The maximum solubility is observed with NUT‐101 (5%) in IL(NTf2) while ZrT‐1‐NH2 and ZrT‐1 remain least soluble (0.5% and 0.2%). As a result, PL‐NUT‐101‐5% with most intrinsic cavities shows higher CO2 uptake (0.576 mmol g−1) than PL‐ZrT‐1‐NH2‐0.5% and PL‐ZrT‐1‐0.2% as well as those reported type II PLs.
Ultra‐Rapid Electrocatalytic H2O2 Fabrication over Mono‐Species and High‐Density Polypyrrolic‐N Sites
Authors: Peng Wei , Chen Rui , Liu Xiaoqing , Tan Haotian , Yin Lichang , Hou Feng , Yang De'an , Liang Ji
Published: June 2024

Electrocatalytic hydrogen peroxide (H2O2) production via two‐electron oxygen reduction reaction (2e−‐ORR) features energy‐saving and eco‐friendly characteristics, making it a promising alternative to the anthraquinone oxidation process. However, the common existence of numerous 2e−‐ORR‐inactive sites/species on electrocatalysts tends to catalyze side reactions, especially under low potentials, which compromises energy efficiency and limits H2O2 yield. Addressing this, a high surface density of mono‐species pyrrolic nitrogen configurations is formed over a polypyrrole@carbon nanotube composite. Thermodynamic and kinetic calculation and experimental investigation collaboratively confirm that these densely distributed and highly selective active sites effectively promote high‐rate 2e−‐ORR electrocatalysis and inhibit side reactions over a wide potential range. Consequently, an ultra‐high and stable H2O2 yield of up to 67.9/51.2 mol g−1 h−1 has been achieved on this material at a current density of 200/120 mA cm−1, corresponding Faradaic efficiency of 72.8/91.5%. A maximum H2O2 concentration of 13.47 g L−1 can be accumulated at a current density of 80 mA cm−1 with satisfactory stability. The strategy of surface active site densification thus provides a promising and universal avenue toward designing highly active and efficient electrocatalysts for 2e−‐ORR as well as a series of other similar electrochemical processes.
Regulating Water Adsorption Sites of Keto‐Enamine COF by Base Exfoliation and Deprotonation for Enhanced Humidity Response
Authors: Mei Aohan , Guo Hongbing , Zhang Wenyuan , Liu Yueli , Chen Wen
Published: June 2024

Covalent organic framework (COF) has received much attention owing to its unique framework structure formed by diverse organic units. However, challenges, including low conductivity, structure instability, and limited control of adsorption and desorption processes, stimulate the modification of COF in electronic sensors. Herein, inspired by the alterable structure of COF in different solvents, a facile base exfoliation and deprotonation method is proposed to regulate the water adsorption sites and improve the intrinsic conductivity of TpPa‐1 COF. TpPa‐1 COF powders are exfoliated to nanosheets to increase water adsorption, while the deprotonation is utilized to adjust the affinity of water molecules on TpPa‐1 COF framework, contributing to water accumulation in the 1D pores. The as‐fabricated TpPa‐1 COF sensor exhibits a decreased recovery time from 419 to 49 s, forming a linear relation between relative humidity (RH) value and humidity response. The excellent chemical stability of the covalent bond of TpPa‐1 COF contributes to the excellent stable device performance in 30 days, promoting further integration and data analysis in respiration monitoring.
Molybdenum‐Doped Cobalt‐Free Cathode Realizing the Electrochemical Stability by Enhanced Covalent Bonding
Authors: Wang Jiayi , Lei Xincheng , Guo Shengnan , Zhang Xiaomin , Deng Yaping , Ma Qianyi , Jin Mingliang , Zhao Lingzhi , Wang Xin , Chen Zhongwei , Su Dong
Published: June 2024

The doping strategy effectively enhances the capacity and cycling stability of cobalt‐free nickel‐rich cathodes. Understanding the intrinsic contributions of dopants is of great importance to optimize the performances of cathodes. This study investigates the correlation between the structure modification and their performances of Mo‐doped LiNi0.8Mn0.2O2 (NM82) cathode. The role of doped Mo's valence state has been proved functional in both lattice structural modification and electronic state adjustment. Although the high‐valence of Mo at the cathode surface inevitably reduces Ni valence for electronic neutrality and thus causes ion mixing, the original Mo valence will influence its diffusion depth. Structural analyses reveal Mo doping leads to a mixed layer on the surface, where high‐valence Mo forms a slender cation mixing layer, enhancing structural stability and Li‐ion transport. In addition, it is found that the high‐valence dopant of Mo6+ ions partially occupies the unfilled 4d orbitals, which may strengthen the Mo─O bond through increased covalency and therefore reduce the oxygen mobility. This results in an impressive capacity retention (90.0% after 200 cycles) for Mo‐NM82 cathodes with a high Mo valence state. These findings underscore the valence effect of doping on layered oxide cathode performance, offering guidance for next‐generation cathode development.
Defect Engineering at Buried Interface of Perovskite Solar Cells
Authors: Mohamad Noh Mohamad Firdaus , Arzaee Nurul Affiqah , Harif Muhammad Najib , Mat Teridi Mohd Asri , Mohd Yusoff Abd Rashid bin , Mahmood Zuhdi Ahmad Wafi
Published: June 2024

Perovskite solar cells (PSC) have developed rapidly since the past decade with the aim to produce highly efficient photovoltaic technology at a low cost. Recently, physical and chemical defects at the buried interface of PSC including vacancies, impurities, lattice strain, and voids are identified as the next formidable hurdle to the further advancement of the performance of devices. The presence of these defects has unfavorably impacted many optoelectronic properties in the PSC, such as band alignment, charge extraction/recombination dynamics, ion migration behavior, and hydrophobicity. Herein, a broad but critical discussion on various essential aspects related to defects at the buried interface is provided. In particular, the defects existing at the surface of the underlying charge transporting layer (CTL) and the bottom surface of the perovskite film are initially elaborated. In situ and ex situ characterization approaches adopted to unveil hidden defects are elucidated to determine their influence on the efficiency, operational stability, and photocurrent–voltage hysteresis of PSC. A myriad of innovative strategies including defect management in CTL, the introduction of passivation materials, strain engineering, and morphological control used to address defects are also systematically elucidated to catalyze the further development of more efficient, reliable, and commercially viable photovoltaic devices.
Study on Microstructure and Mechanical Properties of Marine 10Ni5CrMoV Steel during Tempering
Authors: Zou Tao , Dong Yan‐wu , Jiang Zhou‐hua , Yin Zi‐lin
Published: June 2024

The microstructure and mechanical properties of marine 10Ni5CrMoV steel are systematically investigated at tempering temperatures ranging from 630 to 670 °C. With increasing tempering temperature, several key parameters exhibit notable changes: the volume fraction of reversed austenite decreases from 17.36% to 13.39%. The equivalent grain size increases from 0.91 to 1.09 μm. The equivalent diameter of precipitates increases from 59 to 79 nm. The dislocation density decreases from 0.82 × 10−15 to 0.51 × 10−15 m−2. As the tempering temperature increases, the pinning effect of precipitates on dislocations and martensite laths decreases. This leads to reductions in both dislocation strengthening and precipitation strengthening mechanisms. Consequently, the yield strength of the specimen decreases from 876 to 683 MPa. The increase in the ductile‐brittle transition temperature of the specimens from −116 to −95 °C can be attributed to several factors. First, the increase in precipitate size reduces the critical nucleation stress of cleavage cracks and promotes the nucleation of such cracks. Additionally, the decrease in dislocation density mobility leads to a reduction in the dimple nucleation rate, thereby diminishing the role of dimples in hindering crack propagation.
Effects of the unevenness on infilled material surface of the restraining parts on the structural performance of the buckling‐restrained brace using steel mortar planks
Authors: Fujita Masanori , Awazu Kengo , Nakamura Makoto , Iwata Mamoru
Published: June 2024

The clearance between the core plate and restraining part of the buckling‐restrained brace using steel mortar planks (BRBSM) considerably affects its failure mode status and hysteretic characteristics. When the clearance is controlled by average, in some cases, the clearance exceeds its average value by local unevenness on infilled material surface. As a continuation of our study on the BRBSM with controlled clearance, effects of the unevenness on the infilled material surface of the restraining parts on the structural performance of the buckling‐restrained brace are examined and the possibility of securing a clearance that allows for the evenness is shown. A cyclic axial loading test is conducted using specimens with the evenness on infilled material surface; the effects on the failure mode, strength increase ratio, compression‐to‐tension strength ratio, and cumulative plastic strain energy ratio of the BRBSM are evaluated. Furthermore, the propagation process of the higher‐order buckling modes and the unevenness on infilled material surface are examined, measuring the strain distribution of the core plate under compressive and tensile loading.
Isolation of multi‐drug‐resistant strains of Escherichia coli from faecal samples of dogs and cats from Harare, Zimbabwe
Authors: Matope Gift , Chaima Kudzai , Bande Beauty , Bare Winnet , Kadzviti Faith , Jinjika Farai , Tivapasi Musavenga
Published: June 2024

Background

The escalation of antimicrobial resistance (AMR) in recent years has been of major public health concern globally. Escherichia coli are amongst the bacteria that have been targeted for AMR surveillance due to their ability to cause infection in both animals and humans. Their propensity to produce extended spectrum beta‐lactamases further complicates the choices of treatment regimens.

Objectives

To investigate the prevalence of antimicrobial‐resistance in E. coli strains isolated from faecal samples of dogs and cats from selected veterinary surgeries and animal shelters from Harare, Zimbabwe.

Materials and Methods

A cross‐sectional study was carried out to select animals by a systematic random procedure. Faecal samples were collected for culture and isolation of E. coli. Their susceptibility to antimicrobial drugs was assessed using the disc diffusion method.

Results

A total of 95% (133/140) of the samples from cats (n = 40) and dogs (n = 93) yielded E. coli. Resistance was recorded for ampicillin (45.9%), trimethoprim‐sulphamethoxazole (44.4%), nalidixic acid (29.3%), ceftazidime (15.8%) and azithromycin (12.8%), but not for gentamicin and imipenem. A total of 18% of the isolates were multi‐drug‐resistant where resistance to nalidixic acid, ampicillin and trimethoprim‐sulphamethoxazole predominated.

Conclusion

We observed relatively high AMR of E. coli strains against ampicillin. The isolation of multi‐drug‐resistant strains of E. coli may signal the dissemination of resistance genes in the ecosystem of these bacteria which may have a public health impact.
Unusual left colon displacement and clockwise torsion in a 10‐month‐old Arab filly: A case report
Authors: Azizi Saeed , Mazaheri‐Khameneh Ramin , Davoodi Farshid , Gooran Mohammad Mahdi , Ghoreishi Seyed Siavash , Mozaffari Nima , Dalir‐Naghadeh Bahram
Published: June 2024

In this case report, we present an unusual clockwise torsion of left colon around mesenteric root in a 10‐month‐old Arab filly, highlighting the clinical presentation, diagnostic approach and successful surgical intervention.

A 10‐month‐old Arab filly weighing approximately 250 kg was referred with signs of acute abdominal pain. The history revealed anorexia, restlessness and severe abdominal pain that had begun the previous day. The local practitioner had previously administered flunixin meglumine, an analgesic, but it proved ineffective in relieving the pain. Upon physical examination, the filly exhibited sweating, a body temperature of 38.5°C, tachycardia (65 beats per minute) and tachypnea (25 breaths per minute). Due to the severity of the colic and the lack of response to the conservative treatments, surgical intervention was deemed necessary. An exploratory midline celiotomy was performed to evaluate the abdominal organs. During the examination, no obvious primary lesions were identified in the evaluated organs. However, a restriction in exteriorizing the left colon's length was observed. Further examination revealed an unusual clockwise torsion of the left colon that displaced in left to the right side around the mesenteric root; thereby, pelvic flexure was located in the normal anatomical position with a short length.

To the best of our knowledge, this is the first reported case of clockwise torsion and an atypical displacement of the left colon in horses. The surgical correction of the displacement was successfully performed. The filly showed improvement post‐surgery and did not exhibit any complications during the recovery period.
Collections and Museums in the Historiography of the Earth Sciences
Authors: Podgorny Irina
Published: June 2024

This chapter wants to show how museums and collections have been treated in recent historiographies of earth sciences as well as to examine the genesis, disappearance, and reemergence of museums and collections as spaces linked (or not) to knowledge production. It considers collections of minerals; rocks and fossils; and meteorites and gems; as well as inventories, books, and catalogues.
Concluding Remarks
Authors: Schilizzi Richard T. , Ekers Ronald D. , Dewdney Peter E. , Crosby Philip
Published: June 2024

We conclude this account of the history of the SKA in its formative years with a brief analysis of the major issues and challenges faced by the project against a background of megaprojects in general and science megaprojects in particular. Other projects and mega-project scholars may benefit from seeing how this particular endeavour navigated its way towards becoming a reality.
Evolution of the SKA Science Case
Authors: Schilizzi Richard T. , Ekers Ronald D. , Dewdney Peter E. , Crosby Philip
Published: June 2024

This chapter describes the evolving science case and how it informed the instrumental developments needed to build the SKA. It starts with an outline of the scientific context in 1990, and the tenth anniversary meeting for the Very Large Array in the USA (VLA). In the early 1990s a formal international working group was established through the International Union of Radio Science (URSI) to develop the science case for an SKA.