bluuebunny/crossref_metadata_2025 huggingface dataset:
Third-generation anti-CD19 CAR T cells for relapsed/refractory chronic lymphocytic leukemia: a phase 1/2 study
Authors: Derigs Patrick , Schubert Maria-Luisa , Dreger Peter , Schmitt Anita , Yousefian Schayan , Haas Simon , Röthemeier Caroline , Neuber Brigitte , Hückelhoven-Krauss Angela , Brüggemann Monika , Bernhard Helga , Kobbe Guido , Lindemann Albrecht , Rummel Mathias , Michels Birgit , Korell Felix , Ho Anthony D. , Müller-Tidow Carsten , Schmitt Michael
Published: August 2024

Third-generation chimeric antigen receptor T cells (CARTs) for relapsed or refractory (r/r) chronic lymphocytic leukemia (CLL) may improve efficacy compared to second-generation CARTs due to their enhanced CAR design. We performed the first phase 1/2 investigator-initiated trial evaluating escalating doses of third-generation CARTs (HD-CAR-1) targeting CD19 in patients with r/r CLL and B-cell lymphoma. CLL eligibility criteria were failure to two therapy lines including at least one pathway inhibitor and/or allogeneic hematopoietic cell transplantation. Nine heavily pretreated patients received HD-CAR-1 at dose levels ranging from 1 × 106 to 200 × 106 CART/m2. In-house HD-CAR-1 manufacturing was successful for all patients. While neurotoxicity was absent, one case of grade 3 cytokine release syndrome was observed. By day 90, six patients (67%) attained a CR, five of these (83%) with undetectable MRD. With a median follow-up of 27 months, 2-year PFS and OS were 30% and 69%, respectively. HD-CAR-1 products of responders contained significantly more CD4 + T cells compared to non-responders. In non-responders, a strong enrichment of effector memory-like CD8 + T cells with high expression of CD39 and/or CD197 was observed. HD-CAR-1 demonstrated encouraging efficacy and exceptionally low treatment-specific toxicity, presenting new treatment options for patients with r/r CLL. Trial registration: #NCT03676504.
Temporally controlled multistep division of DNA droplets for dynamic artificial cells
Authors: Maruyama Tomoya , Gong Jing , Takinoue Masahiro
Published: August 2024

Synthetic droplets mimicking bio-soft matter droplets formed via liquid-liquid phase separation (LLPS) in living cells have recently been employed in nanobiotechnology for artificial cells, molecular robotics, molecular computing, etc. Temporally controlling the dynamics of synthetic droplets is essential for developing such bio-inspired systems because living systems maintain their functions based on the temporally controlled dynamics of biomolecular reactions and assemblies. This paper reports the temporal control of DNA-based LLPS droplets (DNA droplets). We demonstrate the timing-controlled division of DNA droplets via time-delayed division triggers regulated by chemical reactions. Controlling the release order of multiple division triggers results in order control of the multistep droplet division, i.e., pathway-controlled division in a reaction landscape. Finally, we apply the timing-controlled division into a molecular computing element to compare microRNA concentrations. We believe that temporal control of DNA droplets will promote the design of dynamic artificial cells/molecular robots and sophisticated biomedical applications.
Controlling photothermoelectric directional photocurrents in graphene with over 400 GHz bandwidth
Authors: Koepfli Stefan M. , Baumann Michael , Gadola Robin , Nashashibi Shadi , Koyaz Yesim , Rieben Daniel , Güngör Arif Can , Doderer Michael , Keller Killian , Fedoryshyn Yuriy , Leuthold Juerg
Published: August 2024

Photodetection in the near- and mid-infrared spectrum requires a suitable absorbing material able to meet the respective targets while ideally being cost-effective. Graphene, with its extraordinary optoelectronic properties, could provide a material basis simultaneously serving both regimes. The zero-band gap offers almost wavelength independent absorption which lead to photodetectors operating in the infrared spectrum. However, to keep noise low, a detection mechanism with fast and zero bias operation would be needed. Here, we show a self-powered graphene photodetector with a > 400 GHz frequency response. The device combines a metamaterial perfect absorber architecture with graphene, where asymmetric resonators induce photothermoelectric directional photocurrents within the graphene channel. A quasi-instantaneous response linked to the photothermoelectric effect is found. Typical drift/diffusion times optimization are not needed for a high-speed response. Our results demonstrate that these photothermoelectric directional photocurrents have the potential to outperform the bandwidth of many other graphene photodetectors and most conventional technologies.
Fecal microbiota transplantation influences microbiota without connection to symptom relief in irritable bowel syndrome patients
Authors: Hartikainen Anna K. , Jalanka Jonna , Lahtinen Perttu , Ponsero Alise J. , Mertsalmi Tuomas , Finnegan Laura , Crispie Fiona , Cotter Paul D. , Arkkila Perttu , Satokari Reetta
Published: August 2024

Imbalanced microbiota may contribute to the pathophysiology of irritable bowel syndrome (IBS), thus fecal microbiota transplantation (FMT) has been suggested as a potential treatment. Previous studies on the relationship between clinical improvement and microbiota after FMT have been inconclusive. In this study, we used 16S rRNA gene amplicon and shotgun metagenomics data from a randomized, placebo controlled FMT trial on 49 IBS patients to analyze changes after FMT in microbiota composition and its functional potential, and to identify connections between microbiota and patients’ clinical outcome. As a result, we found that the successful modulation of microbiota composition and functional profiles by FMT from a healthy donor was not associated with the resolution of symptoms in IBS patients. Notably, a donor derived strain of Prevotella copri dominated the microbiota in those patients in the FMT group who had a low relative abundance of P. copri pre-FMT. The results highlight the multifactorial nature of IBS and the role of recipient’s microbiota in the colonization of donor’s strains.
Implementing a food first strategy can transform preventive healthcare
Authors: Yu Zhaoshuo , Ke Lijing , Lu Ting , Li Li , Gu Huaiyu , Rao Pingfan
Published: August 2024

The Food-First Strategy advocates seeking a nutritional solution for the prevention and treatment of disease before resorting to supplements or therapeutic agents. Advances in knowledge of nutrition at the cellular level are providing information on how micronutrients are incorporated into cells and how they exert their actions. Micronutrients, in the form of naturally occurring nanoparticles, are more bioavailable and also act as antioxidants to tackle inflammation and promote cellular regeneration and repair. They are the new “superheroes of nutrition” and an understanding of their metabolic impact can explain and support associated health claims.
WorldSeasons: a seasonal classification system interpolating biome classifications within the year for better temporal aggregation in climate science
Authors: Littleboy Chris , Subke Jens-Arne , Bunnefeld Nils , Jones Isabel L.
Published: August 2024

We present a seasonal classification system to improve the temporal framing of comparative scientific analysis. Research often uses yearly aggregates to understand inherently seasonal phenomena like harvests, monsoons, and droughts. This obscures important trends across time and differences through space by including redundant data. Our classification system allows for a more targeted approach. We split global land into four principal climate zones: desert, arctic and high montane, tropical, and temperate. A cluster analysis with zone-specific variables and weighting splits each month of the year into discrete seasons based on the monthly climate. We expect the data will be able to answer global comparative analysis questions like: are global winters less icy than before? Are wildfires more frequent now in the dry season? How severe are monsoon season flooding events? This is a natural extension of the historical concept of biomes, made possible by recent advances in climate data availability and artificial intelligence.
Waste management optimization with NLP modeling and waste-to-energy in a circular economy
Authors: Hernández-Romero Ilse María , Niño-Caballero Javier Camilo , González Lucy T. , Pérez-Rodríguez Michael , Flores-Tlacuahuac Antonio , Montesinos-Castellanos Alejandro
Published: August 2024

This work presents a methodology integrating Non-Linear Programming (NLP) for multi-objective and multi-period optimization, addressing sustainable waste management and energy conversion challenges. It integrates waste-to-energy (WtE) technologies such as Anaerobic Digestion (AD), Incineration (Inc), Gasification (Gsf), and Pyrolysis (Py), and considers thermochemical, technical, economic, and environmental considerations through rigorous non-linear functions. Using Mexico City as a case study, the model develops waste management strategies that balance environmental and economic aims, considering social impacts. A trade-off solution is proposed to address the conflict between objectives. The economical optimal solution generates 1.79M$ with 954 tons of CO2 emissions while the environmental one generates 0.91M$ and reduces emissions by 54%, where 40% is due to gasification technology. Moreover, the environmentally optimal solution, with incineration and gasification generates 9500 MWh/day and 5960 MWh/day, respectively, demonstrates the capacity of the model to support sustainable energy strategies. Finally, this work presents an adaptable framework for sustainable waste management decision-making.
In vitro analysis of a novel dimethylaminododecyl methacrylate modification of dental acrylic soft liner material
Authors: Ammar Mohamed M. , Elkammar Hala A. , Abdelkhalek Abdelfattah A. , Abdelrazek Nada A. , Emam Ahmed A. , Abdelhameed Bassem M.
Published: August 2024

Soft denture liners have limitations like short lifespan and increased microbial buildup. Despite promise as a non-leaching antimicrobial polymer in dentistry, the impact of dimethylaminododecyl methacrylate (DMADDM) on soft liner performance remains unexplored. This study aimed to evaluate the effect of integrating different concentrations of DMADDM to cold cure acrylic resin soft liner, on its antimicrobial activity, cytotoxicity, and physical properties. The same properties were compared to a conventional commercially available denture soft liner. The study employed a control group (conventional soft liner) and three test groups containing 3.3%, 6.6%, and 10% (total mass fraction) DMADDM, respectively. Antimicrobial activity against Candida albicans and Streptococcus mutans was assessed through colony counts and biofilm biomass. Cytotoxicity was evaluated using an oral epithelial cell line. Additionally, wettability and hardness were measured to assess physical properties. Incorporation of DMADDM significantly reduced Candida albicans and Streptococcus mutans counts, and biofilm biomass, compared to the control. Additionally, DMADDM improved the soft liner's wettability and mitigated long-term hardness increase. In conclusion, DMADDM holds promise in enhancing soft liner performance. However, careful selection of its optimum concentration is crucial to ensure both safety and efficacy for future clinical use.
Comparative metabolome variation in Brassica juncea different organs from two varieties as analyzed using SPME and GCMS techniques coupled to chemometrics
Authors: Farag Mohamed A. , Goyal Vinod , Baky Mostafa H.
Published: August 2024

Indian mustard (Brassica juncea; Brassicaceae) is an edible, oilseeds-yielding crop widely consumed as a food spice owing to its richness in nutrients with several health benefits. The current study aims to dissect the B. juncea metabolome heterogeneity among its different organs including leaf, stem, flower, and seed. Moreover, assessing the metabolome differences between two different varieties RH-725 and RH-761 grown at the same conditions. Gas chromatography-mass spectrometry (GC–MS) post-silylation was used to dissect the composition of nutrient metabolites coupled to multivariate data analysis. Variation in sulphur aglycones was measured using headspace-solid phase-microextraction HS-SPME coupled to GC–MS. A total of 101 nutrient metabolites were identified with the abundance of sugars represented by monosaccharides in all organs, except for seeds which were enriched in disaccharides (sucrose). α-Linolenic acid was detected as a marker fatty acid in leaf from RH-725 at 12.5 µg/mg. Malic acid was detected as a significant variant metabolite between the two varieties as detected in the leaf from the RH-725 variety at ca. 128.2 µg/mg compared to traces in RH-761. 7 Volatile sulphur compounds were detected at comparable levels in RH-725 and RH-761, with 3-butenyl isothiocyanate was the most abundant at 0.8–2 ng/mg.
DFT electronic structure investigation of chromium ion-implanted cupric oxide thin films dedicated for photovoltaic absorber layers
Authors: Ungeheuer Katarzyna , Marszalek Konstanty W. , Tokarz Waldemar , Perzanowski Marcin , Kąkol Zbigniew , Marszalek Marta
Published: August 2024

This study explores the enhancement of cupric oxide (CuO) thin films for photovoltaic applications through chromium doping and subsequent annealing. Thin films of CuO were deposited on silicon and glass substrates using reactive magnetron sputtering. Chromium was introduced via ion implantation, and samples were annealed to restore the crystal structure. The optical and structural properties of the films were characterized using X-ray diffraction, spectrophotometry, and spectroscopic ellipsometry. Results indicated that implantation reduced the absorbance and conductivity of the films, while annealing effectively restored these properties. Sample implanted with 10 keV energy and 1 × 1014 cm−2 dose of Cr ions, after annealing had sheet resistance of 1.1 × 106 Ω/sq compared to 1.7 × 106 Ω/sq for non implanted and annealed CuO. Study of crystalline structure confirmed the importance of annealing as it reduced the stress present in the material after deposition and implantation. Density Functional Theory (DFT) calculations were performed to investigate the electronic structure and optical properties of CuO with varying levels of chromium doping. Calculations revealed an energy gap of 1.8 eV for undoped CuO, with significant changes in optical absorption for doped samples. Energy band gap determined using absorbance measurement and Tauc plot method had value of 1.10 eV for as deposited CuO. Samples after implantation and annealing had energy band gap value increased to about 1.20 eV. The study demonstrates that chromium doping and subsequent annealing can enhance the optical and electronic properties of CuO thin films, making them more efficient for photovoltaic applications.
Exploring the determinants of under-five mortality and morbidity from infectious diseases in Cambodia—a traditional and machine learning approach
Authors: Helldén Daniel , Sok Serey , Nordenstam Alma , Orsini Nicola , Nordenstedt Helena , Alfvén Tobias
Published: August 2024

Cambodia has made progress in reducing the under-five mortality rate and burden of infectious diseases among children over the last decades. However the determinants of child mortality and morbidity in Cambodia is not well understood, and no recent analysis has been conducted to investigate possible determinants. We applied a multivariable logistical regression model and a conditional random forest to explore possible determinants of under-five mortality and under-five child morbidity from infectious diseases using the most recent Demographic Health Survey in 2021–2022. Our findings show that the majority (58%) of under-five deaths occurred during the neonatal period. Contraceptive use of the mother led to lower odds of under-five mortality (0.51 [95% CI 0.32–0.80], p-value 0.003), while being born fourth or later was associated with increased odds (3.25 [95% CI 1.09–9.66], p-value 0.034). Improved household water source and higher household wealth quintile was associated with lower odds of infectious disease while living in the Great Lake or Coastal region led to increased odds respectively. The odds ratios were consistent with the results from the conditional random forest. The study showcases how closely related child mortality and morbidity due to infectious disease are to broader social development in Cambodia and the importance of accelerating progress in many sectors to end preventable child mortality and morbidity.
A deep learning method that identifies cellular heterogeneity using nanoscale nuclear features
Authors: Carnevali Davide , Zhong Limei , González-Almela Esther , Viana Carlotta , Rotkevich Mikhail , Wang Aiping , Franco-Barranco Daniel , Gonzalez-Marfil Aitor , Neguembor Maria Victoria , Castells-Garcia Alvaro , Arganda-Carreras Ignacio , Cosma Maria Pia
Published: August 2024

Cellular phenotypic heterogeneity is an important hallmark of many biological processes and understanding its origins remains a substantial challenge. This heterogeneity often reflects variations in the chromatin structure, influenced by factors such as viral infections and cancer, which dramatically reshape the cellular landscape. To address the challenge of identifying distinct cell states, we developed artificial intelligence of the nucleus (AINU), a deep learning method that can identify specific nuclear signatures at the nanoscale resolution. AINU can distinguish different cell states based on the spatial arrangement of core histone H3, RNA polymerase II or DNA from super-resolution microscopy images. With only a small number of images as the training data, AINU correctly identifies human somatic cells, human-induced pluripotent stem cells, very early stage infected cells transduced with DNA herpes simplex virus type 1 and even cancer cells after appropriate retraining. Finally, using AI interpretability methods, we find that the RNA polymerase II localizations in the nucleoli aid in distinguishing human-induced pluripotent stem cells from their somatic cells. Overall, AINU coupled with super-resolution microscopy of nuclear structures provides a robust tool for the precise detection of cellular heterogeneity, with considerable potential for advancing diagnostics and therapies in regenerative medicine, virology and cancer biology.
Introduction to Lipid- and Protein-based Functional Materials
Authors: Ullah Aman , Bandara Nandika
Published: August 2024

This chapter describes the multifaceted applications of lipid- and protein-based functional materials. The first part of the chapter describes the application of lipids. Lipids, which encompass oils and fats, emerge as a promising raw material for chemicals and polymers and have applications in the food industry owing to their renewable and abundant nature. This part further extends to lipid-based plasticizers and biocomposites and their use in nanomedicines. The second part of the chapter shifts its focus to proteins, highlighting their remarkable versatility through diverse applications, such as bioplastics, adhesives, wound dressings, and drug delivery systems. The environmentally conscious attributes of protein-based materials are emphasized, concluding with their potential for new innovations in these dynamic and cutting-edge fields.
Hydrophobic and Superhydrophobic Protein-based Materials for Functional Applications
Authors: Chang Boon Peng , Zhou Jian , Mekonnen Tizazu H.
Published: August 2024

Next to polysaccharides, proteins are the most abundant natural biomaterials that can be extracted from plant and animal sources. Due to their biocompatibility, sustainability, environmental friendliness and wide range of properties, protein-based materials offer ample scope for the development of new eco-friendly products for various industrial and functional applications. However, proteins are highly hygroscopic and hydrophilic in nature, stemming from the polar functional moieties on the protein structure. The interest in the functionalization or modification of proteins to produce hydrophobic surfaces and interfaces for various engineering applications has increased in recent years. This chapter discusses the functional application of hydrophobic and superhydrophobic protein-based materials and their routes to achieving such properties. A wide range of protein materials derived from various plant and animal resources with different physico-chemical properties that are used to fabricate hydrophobic and superhydrophobic materials are reviewed. Various modification platforms and fabrication methods to obtain superhydrophobic materials are presented. Finally, challenges and future perspectives of protein-based materials for hydrophobic and superhydrophobic applications are discussed.
Blue mussel (Mytilus edulis) water extract ameliorates intestinal immune response in high-fat diet–streptozotocin-induced diabetic mice
Authors: Sudirman Sabri , Hwang Yi-Yuh , Su Chia-Hung , Lu Ting-Yu , Kuo Hsiang-Ping , Hwang Deng-Fwu , Kong Zwe-Ling
Published: August 2024

Mytilus edulis water extract enhances antioxidant activity, increases interleukin-10 concentration and natural killer cell activation and improves the phagocytic capacity of monocytes and the proliferative capacity of lymphocytes.
Efficient detection of carbendazim using an electrochemical sensor for a novel NiFeLDH@HsGY-NH2/MWCNTs heterostructure with lattice-strain
Authors: Li Na , Tang Baokun , Zhu Tao
Published: August 2024

Herein, a novel electrochemical sensor based on NiFeLDH@HsGY-NH2/MWCNTs/GCE was proposed for highly sensitive and selective detection of carbendazim.
Control of phosphodiesterase activity in the regulator of biofilm dispersal RbdA from Pseudomonas aeruginosa
Authors: Cordery Charlotte , Craddock Jack , Malý Martin , Basavaraja Kieran , Webb Jeremy S. , Walsh Martin A. , Tews Ivo
Published: August 2024

The structural study of RbdA shows an activated phosphodiesterase, required for bacterial biofilm dispersal.
Recent advances in selective methanol oxidation electrocatalysts for the co-production of hydrogen and value-added formate
Authors: Li Jiaxin , Yu Hongmei , Na Jingchen , Jia Senyuan , Zhao Yutong , Lv Kaiqiu , Zhang Wenzhuo , Chi Jun , Shao Zhigang
Published: August 2024

This review includes the mechanism, catalyst design strategy, performance descriptors, catalyst development, and perspectives on selective methanol oxidation electrocatalysts for the co-production of hydrogen and value-added formate.
Correction: Reactivity study of Lewis superacidic carborane-based analogue of 9-bromo-9-borafluorene towards Lewis bases
Authors: Xiang Libo , Matler Alexander , Tan Leibo , Ye Qing
Published: August 2024

Correction for ‘Reactivity study of Lewis superacidic carborane-based analogue of 9-bromo-9-borafluorene towards Lewis bases’ by Libo Xiang et al., Dalton Trans., 2024, 53, 11655–11658, https://doi.org/10.1039/D4DT01615G.
Effect of dark sweet cherry (Prunus avium) supplementation on the fecal microbiota, metabolic endotoxemia, and intestinal permeability in obese subjects: a single-blind randomized trial
Authors: Arbizu Shirley , Mertens-Talcott Susanne U. , Talcott Stephen , Noratto Giuliana D.
Published: August 2024

DSC intake consumption for 30 days prevents increase of inflammation-linked bacteria and supports a healthy gut microbiota in obese adults.
Pyridinyl 4-(2-oxoalkylimidazolidin-1-yl)benzenesulfonates and their hydrochloride salts as novel water soluble antimitotic prodrugs bioactivated by cytochrome P450 1A1 in breast cancer cells
Authors: Ouellette Vincent , Bouzriba Chahrazed , Chavez Alvarez Atziri Corin , Bruxelles Quentin , Hamel-Côté Geneviève , Fortin Sébastien
Published: August 2024

New water soluble antimitotic CYP1A1-activated prodrugs named PYRAIB-SOs and their hydrochlorides targeting breast cancers.
Nanostructured electroless Ni deposited SnO2 for solar hydrogen production
Authors: Birla Priyanka N. , Arbuj Sudhir , Chauhan Ratna , Shinde Manish , Rane Sunit , Gosavi Suresh , Kale Bharat
Published: August 2024

Herein, Ni-decorated SnO2 (Ni@SnO2) nanostructures have been synthesized over SnO2 nanoparticles via a simple electroless deposition method for the generation of hydrogen, a potent near-future fuel.
Deterministic positioning of few aqueous colloidal quantum dots
Authors: Pambudi Muhammad Tegar , Arora Deepshikha , Liang Xiao , Sain Basudeb , Ranganath Anupama Sargur , Chua Matthew R. , Vu Cam Nhung , Zamiri Golnoush , Rahman Md. Abdur , Demir Hilmi Volkan , Yang Joel K. W. , Ding Lu
Published: August 2024

The template-assisted saturated-vapor drop casting method achieves deterministic spatial localization of few to single aqueous silica-cladded colloidal quantum dots, yielding ~40% single-particle yield and ~80% total site occupancy.
Mechanistic understanding of CO2 reduction and evolution reactions in Li–CO2 batteries
Authors: Zhou Lang , Huang Yaohui , Wang Yuzhe , Wen Bo , Jiang Zhuoliang , Li Fujun
Published: August 2024

Reaction mechanisms of CO2 reduction and evolution at cathode/electrolyte interface are discussed, highlighting the relationship between electrochemical performance of Li–CO2 batteries and properties of different discharge products.
An integrated dual-gradient host facilitates oriented bottom-up lithium growth in lithium metal anodes
Authors: Du Zhuzhu , Chen Xin , Zhao Ying , Liu Yuhang , Ai Wei
Published: August 2024

A dual-gradient host combining conductivity and lithiophilicity is synthesized, which promotes uniform lithium deposition from bottom to top within the host and effectively mitigates volume expansion during lithium cycling.
Recent developments of artificial intelligence in MXene-based devices: from synthesis to applications
Authors: Hussain Talib , Chandio Imamdin , Ali Akbar , Hyder Ali , Memon Ayaz Ali , Yang Jun , Thebo Khalid Hussain
Published: August 2024

The role of AI technology in MXene-based devices and the latest research papers on AI-based MXene devices were comprehensively reviewed.
A novel dual S-scheme Co9S8/MnCdS/Co3O4 heterojunction for photocatalytic hydrogen evolution under visible light irradiation
Authors: Wang Congcong , Shi Suili , Liu Boya , Wang Guorong , Jin Zhiliang
Published: August 2024

A dual S-scheme heterojunction was constructed which expands the light absorption range and extends the carrier lifetime. The hydrogen evolution rate of Co9S8/MnCdS/Co3O4 was 3.49 and 1.49 times higher than those of pristine MnCdS and MnCdS/Co3O4.
Urea-driven g-C3N4 nanostructures for highly efficient photoreduction of Cr(vi) under visible LED light: effects of calcination temperature
Authors: Safari Faramarz , Poursalehi Reza , Delavari Hamid
Published: August 2024

The effectiveness of g-C3N4 samples, obtained at different calcination temperatures, was examined in the photoreduction of Cr(vi). Band positions and the Cr(vi) photoreduction mechanism of g-C3N4 are also reported.
Synthesis and characterization of macrodiols and non-segmented poly(ester-urethanes) (PEUs) derived from α,ω-hydroxy telechelic poly(ε-caprolactone) (HOPCLOH): effect of initiator, degree of polymerization, and diisocyanate
Authors: Barrera-Nava Miriam P. , Navarro Rodrigo , Marcos-Fernández Ángel , Báez José E.
Published: August 2024

This study explores three different factors such as the initiator, degree of polymerization and diisocyanate on the properties of macrodiols and poly(ester-urethanes) (PEUs).
Synthesis and characterization of mesoporous silica supported metallosalphen-azobenzene complexes: efficient photochromic heterogeneous catalysts for the oxidation of cyclohexane to produce KA oil
Authors: Alshehri Salimah , Abboud Mohamed
Published: August 2024

The oxidation of cyclohexane to produce KA oil (cyclohexanone and cyclohexanol) is important industrially but faces challenges such as low cyclohexane conversion at high KA oil selectivity, and difficult catalyst recyclability.
Rationale, in silico docking, ADMET profile, design, synthesis and cytotoxicity evaluations of phthalazine derivatives as VEGFR-2 inhibitors and apoptosis inducers
Authors: Bayoumi Hatem Hussein , Ibrahim Mohamed-Kamal , Dahab Mohammed A. , Khedr Fathalla , El-Adl Khaled
Published: August 2024

New phthalazine derivatives as vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors were synthesized joined to different spacers including pyrazole, α,β-unsaturated ketonic fragment, pyrimidinone and/or pyrimidinthione.
Emergence of symmetric and asymmetric Dirac points under periodic electric and vector potentials in ABA-trilayer graphene superlattice
Authors: Uddin Salah , Hussain Altaf , Rashid Amin Ur , Ullah Kefayat , Oh Won-Chun
Published: August 2024

Energy dispersion along ky direction (kx = 0) for different values of barrier height A0 with identical barrier and well widths (db = dw = 5 and d = 10).
AuAgCu trimetallic nanoparticles based alloy: an advanced electrocatalyst for hydrogen evolution reaction in alkaline media
Authors: Memon Kanwal , Memon Roomia , Ibupoto Zafar Hussain , Memon Ghufran Ahmed , Haleem Halar , Sirajuddin  , Memon Ayaz Ali , Qureshi Anjum , Niazi Javed H. , Nadeem Ahmed , Attia Sabry M.
Published: August 2024

Mechanism for the formation of Au, Ag, Cu trimetallic nanoparticles.
Manganese-catalyzed oxidation of furfuryl alcohols and furfurals to efficient synthesis of furoic acids
Authors: Kou Tianshu , Chen Weihua , He Aimin , Wang Xiaoru , Li Xin , Cui Bing , Wu Zhiyong , Zhao Mingqin , Xie Min , Shao Zhihui
Published: August 2024

Herein, the direct oxidation of furfuryl alcohols and furfurals to the corresponding furoic acids is performed highly efficiently with potassium hydroxide as the base in the presence of a catalytic amount of PNP pincer manganese catalyst in dioxane.
Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry
Authors: Amin Md Khairul , Ye Chunchun , Pang Shuhua , Liu Yuancheng , Taylor Dominic , Nichol Gary S. , McKeown Neil B.
Published: August 2024

The efficient one-step synthesis of the triptycene-like 1,6,2′,7′-tetrahydroxynaphthopleiadene provides a useful precursor for a novel cavitand, microporous polymers, and the parent naphthopleiadene.
Retro-Cope elimination of cyclic alkynes: reactivity trends and rational design of next-generation bioorthogonal reagents
Authors: Beutick Steven E. , Yu Song , Orian Laura , Bickelhaupt F. Matthias , Hamlin Trevor A.
Published: August 2024

Diversify your bonds! The reactivity of preactivated cycloalkynes in the retro-Cope elimination reaction was quantum chemically investigated. Based on our finding, we rationally designed a suite of next-generation reagents.
Hydrogen production by NH3 decomposition at low temperatures assisted by surface protonics
Authors: Ofuchi Yukino , Mitarai Kenta , Doi Sae , Saegusa Koki , Hayashi Mio , Sampei Hiroshi , Higo Takuma , Seo Jeong Gil , Sekine Yasushi
Published: August 2024

Ammonia, which can be decomposed on-site to produce CO2-free H2, is regarded as a promising hydrogen carrier because of its high hydrogen density, wide availability, and ease of transport.
Revisiting a classic carbocation – DFT, coupled-cluster, and ab initio molecular dynamics computations on barbaralyl cation formation and rearrangements
Authors: Guo Wentao , Kong Wang-Yeuk , Tantillo Dean J.
Published: August 2024

Computations were used to model the rearrangement of the barbaralyl cation, a structure that demonstrates nonclassical bridging, homoconjugation, fluxionality, non-statistical dynamic effects, post-transition state bifurcations, and tunneling!
Gram-scale enzymatic synthesis of 2′-deoxyribonucleoside analogues using nucleoside transglycosylase-2
Authors: Salihovic Admir , Ascham Alex , Taladriz-Sender Andrea , Bryson Samantha , Withers Jamie M. , McKean Iain J. W. , Hoskisson Paul A. , Grogan Gideon , Burley Glenn A.
Published: August 2024

This work details the scope and scalability of biocatalytic nucleoside synthesis by the type II nucleoside 2′-deoxyribosyltransferase (LlNDT2).
Study of degradation mechanisms in aqueous-processed Ni-rich cathodes for enhanced sustainability of batteries
Authors: Chen Heyin , Mattsson Agnes-Matilda , King Laura , Liu Haidong , Nielsen Ida , Ericson Tove , Preobrajenski Alexei , Brant William R. , Hahlin Maria
Published: August 2024

A slightly thinner CEI layer and lower charge transfer resistance were achieved by H3OP4 modification during the water processing of Ni-rich cathodes, compared to non-treated counterparts.
A fluorescent ratiometric potassium sensor based on IPG4-silica microparticles for selective detection and fluorescence imaging of potassium cations
Authors: Colella Francesco , Forciniti Stefania , Onesto Valentina , Grasso Giuliana , Iuele Helena , Gigli Giuseppe , del Mercato Loretta L.
Published: August 2024

Potassium cations (K+) play key roles in organisms. Fluorescent ratiometric microsensors for K+ were synthesized using silica microparticles. Their spectral and physicochemical properties were fully investigated for K+ detection and tracking.
Correction: Laser assisted photocatalytic reduction of metal ions by graphene oxide
Authors: Moussa Sherif , Atkinson Garrett , SamyEl-Shall M. , Shehata Ahmed , AbouZeid Khaled M. , Mohamed Mona B.
Published: August 2024

Correction for ‘Laser assisted photocatalytic reduction of metal ions by graphene oxide’ by Sherif Moussa et al., J. Mater. Chem., 2011, 21, 9608–9619, https://doi.org/10.1039/C1JM11228G.
Receding horizon control for persistent monitoring tasks with monitoring count requirements
Authors: Zhao Xiaohu , Zou Yuanyuan , Li Shaoyuan
Published: August 2024

This article presents a reachability‐based receding horizon control (RHC) method for addressing persistent monitoring problems with count requirements. An agent is assigned to monitor multiple targets in a given environment to minimize the average uncertainty metric of all targets, while ensuring the monitoring count requirements of specific targets within predetermined time windows. To account for the spatial and temporal constraints in the monitoring requirements, a persistence predicate within the signal temporal logic (STL) specifications is introduced, which incorporates cumulative target state signals to effectively describe the monitoring count constraints. Considering the complexities arising from global time domain information requirements in STL constraints validation, an STL formula segmentation method based on completion progress is proposed. Subsequently, a reachability‐based controller for the agent is developed by solving a short‐term RHC problem while ensuring the satisfaction of the STL formulae. Simulation results are provided to illustrate the performance of proposed method.
Improving unsupervised pedestrian re‐identification with enhanced feature representation and robust clustering
Authors: Luo Jiang , Liu Lingjun
Published: August 2024

Pedestrian re‐identification (re‐ID) is an important research direction in computer vision, with extensive applications in pattern recognition and monitoring systems. Due to uneven data distribution, and the need to solve clustering standards and similarity evaluation problems, the performance of unsupervised methods is limited. To address these issues, an improved unsupervised re‐ID method, called Enhanced Feature Representation and Robust Clustering (EFRRC), which combines EFRRC is proposed. First, a relation network that considers the relations between each part of the pedestrian's body and other parts is introduced, thereby obtaining more discriminative feature representations. The network makes the feature at the single‐part level also contain partial information of other body parts, making it more discriminative. A global contrastive pooling (GCP) module is introduced to obtain the global features of the image. Second, a dispersion‐based clustering method, which can effectively evaluate the quality of clustering and discover potential patterns in the data is designed. This approach considers a wider context of sample‐level pairwise relationships for robust cluster affinity assessment. It effectively addresses challenges posed by imbalanced data distributions in complex situations. The above structures are connected through a clustering contrastive learning framework, which not only improves the discriminative power of features and the accuracy of clustering, but also solves the problem of inconsistent clustering updates. Experimental results on three public datasets demonstrate the superiority of our method over existing unsupervised re‐ID methods.
Single-Point Incremental Forming (SPIF) of AA5754 Aluminium Alloy Blanks: Experimental and numerical studies
Authors: Jin Yuhai , Yu Xiangnan , Liu Heli , Politis Denis J. , Wang Liliang
Published: August 2024

This study presents a Finite Element (FE) simulation model for Single-Point Incremental Forming (SPIF) of a panel part using AA5754 Aluminium Alloy. The precision of model was highly enhanced through experimental data integration by uniaxial tensile tests (UATT) to determine material flow stress and anisotropic properties. The Voce model accurately predicted material flow stress within a 5% error margin, and equations were concluded to convert Lankford coefficients (R-values) into anisotropic stress ratios for Abaqus/Explicit simulation. Experimental validation demonstrated a close agreement in major strain and thickness distribution, with a maximum error below 5.8% across high and low forming speeds.
Research of Superplastic Forming, Mechanical Properties, and Thermal Insulation Performance of Titanium Alloy 3D Lattice Structure
Authors: Xiaoning Han , Zhiqiang Li , Chaoyang Sun , Bing Zhao , Chun Wang , Yang Liu
Published: August 2024

A physically constitutive model based on microstructure evolution was constructed to describe the coupling relationship between various macro and micro variations of TA32 titanium alloy in superplastic deformation. Then, a finite element analysis model was established to simulate and analyse the superplastic forming process of titanium alloy based on the physically constitutive model. The deformation characteristics, mechanical properties and thermal insulation performance of the three dimensional lattice structure were analysed and tested. The results show that the three-dimensional lattice structure of titanium alloy has good formability, excellent mechanical properties, and good thermal insulation performance, indicating that it is a promising load-bearing functional integrated structure.
Mechanical properties prediction of high-strength aluminium alloy components formed under the PHF process
Authors: Ma Huijuan , Wang Peiliao , Hu Zhili , Hua Lin
Published: August 2024

Pre-strengthening hot/warm forming (PHF) technology can effectively shorten the microstructure evolution process of aluminium alloy deformation and heat treatment, and has a broad application prospect. In this paper, the process parameters in PHF are abstracted into sequence data, which is used as the input of long short-term memory neural network (LSTM) model to predict mechanical properties of aluminium alloy components after PHF process. Besides, the prediction models based on Random Forest (RF), Support Vector Regression (SVR) and Back Propagation Neural Network (BPNN) are established and compared with LSTM model. In addition, a Few-Shot Learning method based on the constitutive model is proposed to predict the properties of aluminium alloys.
Hybrid manufacturing of collector coins with free-moving features
Authors: Rosado Pedro M.S. , Sampaio Rui F.V. , Pragana João P.M. , Bragança Ivo M.F. , Silva Carlos M.A. , Martins Paulo A.F.
Published: August 2024

This paper presents a feasibility study on the use of hybrid manufacturing to fabricate collector coins with free-moving features. The approach begins with the fabrication of the different coin elements through blanking and additive manufacturing and ends with minting to connect these elements and impart lettering and reliefs on both coin surfaces. Two different concepts are introduced and analyzed based on the geometric and operative parameters of coin minting. Experiments and finite element computer simulations allow establishing the applicability window of the proposed coin concepts. These results, combined with those obtained from destructive tests, are then used to optimize the operative parameters concerning the final geometry and structural integrity of the coins. The feasibility of the new hybrid manufacturing approach is demonstrated through the fabrication of prototype coins with free-moving features.
Electro-Mechanical Synergy in the Design of Hybrid Busbar Distribution Systems
Authors: Pragana João P.M. , Sampaio Rui F.V. , Rosado Pedro M.S. , Bragança Ivo M.F. , Silva Carlos M.A. , Martins Paulo A.F.
Published: August 2024

This paper focuses on electric energy distribution and utilizes injection lap riveting to assemble two different configurations of copper-aluminum (hybrid) busbar distribution systems with geometric variations. A combined experimental-numerical methodology is employed to investigate the influence of the different configurations and geometries on current crowding and electrical resistance of the joints. The study reveals that prioritizing the reduction of manufacturing costs through the use of simple and easier-to-fabricate geometries results in poorer electrical performance and increased operational costs of the energy distribution systems in service. The work represents a key step towards achieving electro-mechanical synergy in the design of hybrid busbar distribution systems.
Slip system level strengthening in nano-indentation of single crystalline copper: Numerical study via a non-local CPFEM model
Authors: Zhu Shuai , Brousseau Emmanuel
Published: August 2024

A three-dimensional non-local crystal plasticity finite element model (CPFEM) integrating the evolution of geometrically necessary dislocations (GNDs) and statistically stored dislocations (SSDs) was developed to simulate the nano-indentation of single crystal copper. The simulation accurately reproduced published experimental results when considering force-depth curves, indentation size effect (ISE), anisotropic plastic deformation and sink-in phenomenon. The accumulated slip, i.e., shear strain in individual slip systems, was quantitively investigated. It is anticipated that the developed non-local CPFEM model can support future sub-micro and nanoscale manufacturing research as it enables the rapid exploration of slip system level mechanical response of a diverse range of crystalline alloys.
Study on the silicide phase control and room temperature mechanical properties of Nb-Si-Ti based alloys via B and Mg-microalloying
Authors: Chen Dezhi , Xu Fangdong , Yu Jingyue , Wang Shu , Wang Qi , Chen Ruirun
Published: August 2024

The Nb-16Si-20Ti-4Cr-1.5Al-4Hf-4Zr-1Ta-xB (x=0, 2, 4)-yMg (y=0, 0.2, 0.4) alloys were prepared by non-consumable arc melting. The effects of B and Mg addition on the microstructure and room temperature fracture toughness have been investigated. The results reveal that when the content of B element reached 4 at.%, the intermediate metastable phase Nb3Si was precipitated in Nb-Si based alloys. The cooperation of B and Mg synergistically enhances the room temperature fracture toughness of Nb-Si based alloy. B and Mg element causes the eutectic point of Nb-Si based alloy to shift to the right. The 2B-0.4Mg alloy shows the best fracture toughness, and its KQ value is 14.41 MPa·m 1/2, which increased by 34% compared to the matrix alloy. Crack deflection and secondary cracking increase the room-temperature fracture toughness of Nb-Si-based alloys.
Effects of Cu on the microstructure and hydrogen storage properties of Mg-20Ni alloy
Authors: Ding Xin , Cao Wenchao , Chen Ruirun , Zhang Jiaxin , Shen Hongxian , Guo Jingjie
Published: August 2024

In order to improve the hydrogen storage capacity of hypereutectic Mg-Ni alloy, the Mg40Ni10 and Mg40Ni8Cu2 alloys were prepared by metallurgy method. The effects of Cu on the alloys’ phase composition, microstructure were studied systematically. The volumetric Sieverts’ method was used to test and analyze the activation performance and hydrogen absorption and desorption kinetic performance of the alloys. It was found that the partial substation of Ni in the Mg2Ni-riched matrix alloy with Cu can change the primary Mg2Ni and eutectic Mg-Mg2Ni morphology of the alloy. With the doping of Cu content, although the activation property of the alloy decreases, the hydrogen storage capacity as well as the kinetic of hydrogen absorption and desorption are improved significantly.
A numerical study on the influence of workpiece rotational speed on process performance in electrochemical turning operation
Authors: Sagathiya Naisarg , Sharma Vyom , Ramkumar Janakarajan
Published: August 2024

Electrochemical machining (ECM) is a non-contact type machining technique in which, material is removed from the workpiece by the process of electrochemical dissolution in the presence of an externally applied electric field. Electrochemical turning (ECT) is a variant of ECM which closely resembles the conventional turning operation in configuration. ECT produces parts without burrs, thermal or mechanical residual stresses, and generally possesses a good surface finish. According to the classical theory of electrochemistry, the rate of material removed from the anode surface depends upon several process parameters such as: applied potential, electrical conductivity of electrolyte, gram electrochemical equivalent and mass density of the anode material, and the interelectrode gap. However, in ECT, workpiece rotational speed is also a key parameter which significantly influences the machining rate, but no analytical or empirical relationship in existence takes account of it. In the present research, a numerical model is developed to study the influence of rotational speed in ECT. This model numerically approximates the distribution of current density on the anode surface in two-dimensions without considering the hydrodynamics of the electrolyte flow. For a specific set of other process parameters, simulation results suggest a positive correlation between the machining rate and rotational speed.
Surface hardening of MIM porous metals by ultrasonic vibration assisted pressing
Authors: Shimaoka Ryo , Yin Zidong , Yang Ming
Published: August 2024

Micro MIM is one of the manufacturing methods for medical devices, which has seen a rapid increase in demand in recent years, but due to the porous structure of the product, there are concerns about insufficient strength due to low density. Ultrasonic-assisted surface reinforcement was proposed to supplement the strength by hardening the surface and improving bending stiffness in this study. Ultrasonic-assisted pressing was performed to verify mechanism for the surface hardening by comparing MIM and rolled specimen. The materials used are pure copper MIM. It was found that MIM specimen have a characteristic in which strain is concentrated near the surface compared to rolled specimen. This suggests that the cause of the concentration of strain on the surface may be the absorption of ultrasonic energy by the pores inside the material due to sound and shock absorption properties of the porous structure.
Hyperelastic piezoresistive nanocomposites for smart wearable applications
Authors: Triay Alejandro , Savio Nikolas , Kumar Shanmugam
Published: August 2024

This study demonstrates the piezoresistive behaviour of hyperelastic silicone/CNT nanocomposites for large strain sensing applications. Four different 2D lattices, namely the Hexagonal, Re-entrant, I-shape and S-shape are employed to explore the effect of unit cell architecture on gauge factor. The lattices are produced at three different relative densities (30%, 40%, 50%) to determine the effect of such on piezoresistive sensitivity. Piezoresistive gauge factors of 2.66, 0.61, 4.91 and 0.20 at 125% strain were recorded respectively for each lattice geometry: Hexagonal, Re-entrant, I-shaped, and S-shaped. The results showed the effective sensitivity of the elastomeric nanocomposite auxetic lattices up to 400% tensile strain, far beyond that achieved by extant studies.