bluuebunny/crossref_metadata_2025 huggingface dataset:
Broadband Negative Photoconductive Response in Carbon Nanodots
Authors: Qin Jin‐Xu , Shen Cheng‐Long , Li Lei , Liu Hang , Zhang Wu‐You , Yang Xi‐Gui , Shan Chong‐Xin
Published: June 2024

Due to the broadband response and low selectivity of external light, negative photoconductivity (NPC) effect holds great potential applications in photoelectric devices. Herein, different photoresponsive carbon nanodots (CDs) are prepared from diverse precursors and the broadband response from the NPC CDs are utilized to achieve the optoelectronic logic gates and optical imaging for the first time. In detail, the mcu‐CDs which are prepared by the microwave‐assisted polymerization of citric acid and urea possess the large specific surface area and abundant hydrophilic groups as sites for the adsorption of H2O molecules and thereby present a high conductivity in dark. Meanwhile, the low affinity of mcu‐CDs to H2O molecules permits the light‐induced desorption of H2O molecules by heat effect and thus endow the mcu‐CDs with a low conductivity under illumination. The easy absorption and desorption of H2O molecules contribute to the extraordinary NPC of mcu‐CDs. With the broadband NPC response in CDs, the optoelectronic logic gates and flexible optical imaging system are established, achieving the applications of “NOR” or “NAND” logic operations and high‐quality optical images. These findings unveil the unique optoelectronic properties of CDs, and have the potential to advance the applications of CDs in optoelectronic devices.
Printed On‐Chip Perovskite Heterostructure Arrays for Optical Switchable Logic Gates
Authors: Xie Hongfei , Chen Sisi , Yang Xu , Pan Qi , Xue Tangyue , Zhang Zeying , Hu Yuming , Chi Jimei , Cheng Lijun , Chen Bingda , Song Yanlin , Su Meng
Published: June 2024

The use of optoelectronic devices for high‐speed and low‐power data transmission and computing is considered in the next‐generation logic circuits. Heterostructures, which can generate and transmit photoresponse signals dealing with different input lights, are highly desirable for optoelectronic logic gates. Here, the printed on‐chip perovskite heterostructures are demonstrated to achieve optical‐controlled “AND” and “OR” optoelectronic logic gates. Perovskite heterostructures are printed with a high degree of control over composition, site, and crystallization. Different regions of the printed perovskite heterostructures exhibit distinguishable photoresponse to varied wavelengths of input lights, which can be utilized to achieve optical‐controlled logic functions. Correspondingly, parallel operations of the two logic gates (“AND” and “OR”) by way of choosing the output electrodes under the single perovskite heterostructure. Benefiting from the uniform crystallization and strict alignment of the printed perovskite heterostructures, the integrated 3 × 3 pixels all exhibit 100% logic operation accuracy. Finally, optical‐controlled logic gates responding to multiwavelength light can be printed on the predesigned microelectrodes as the on‐chip integrated circuits. This printing strategy allows for integrating heterostructure‐based optical and electronic devices from a unit‐scale device to a system‐scale device.
Unlocking Efficient Hydrogen Production: Nucleophilic Oxidation Reactions Coupled with Water Splitting
Authors: Wang Peng , Zheng Jie , Xu Xue , Zhang Yu‐Qing , Shi Qiao‐Fu , Wan Yong , Ramakrishna Seeram , Zhang Jun , Zhu Liyang , Yokoshima Tokihiko , Yamauchi Yusuke , Long Yun‐Ze
Published: June 2024

Electrocatalytic water splitting driven by sustainable energy is a clean and promising water‐chemical fuel conversion technology for the production of high‐purity green hydrogen. However, the sluggish kinetics of anodic oxygen evolution reaction (OER) pose challenges for large‐scale hydrogen production, limiting its efficiency and safety. Recently, the anodic OER has been replaced by a nucleophilic oxidation reaction (NOR) with biomass as the substrate and coupled with a hydrogen evolution reaction (HER), which has attracted great interest. Anode NOR offers faster kinetics, generates high‐value products, and reduces energy consumption. By coupling NOR with hydrogen evolution reaction, hydrogen production efficiency can be enhanced while yielding high‐value oxidation products or degrading pollutants. Therefore, NOR‐coupled HER hydrogen production is another new green electrolytic hydrogen production strategy after electrolytic water hydrogen production, which is of great significance for realizing sustainable energy development and global decarbonization. This review explores the potential of nucleophilic oxidation reactions as an alternative to OER and delves into NOR mechanisms, guiding future research in NOR‐coupled hydrogen production. It assesses different NOR‐coupled production methods, analyzing reaction pathways and catalyst effects. Furthermore, it evaluates the role of electrolyzers in industrialized NOR‐coupled hydrogen production and discusses future prospects and challenges. This comprehensive review aims to advance efficient and economical large‐scale hydrogen production.
Porous Polypyrrolidines for Highly Efficient Recovery of Precious Metals through Reductive Adsorption Mechanism
Authors: Shi Jing , Peng Shan‐Qing , Kuang Boya , Wang Shuifeng , Liu Yan , Zhou Jin‐Xiu , Li Xiaodong , Huang Mu‐Hua
Published: June 2024

The recycling and utilization of precious metals have emerged as a critical research focus in advancing the development of the circular economy. Among numerous methods for recovering precious metals such as gold, adsorbents with both high adsorption selectivity and capacity have become key technologies. This article incorporated the N‐phenylpyrrolidine into a flexible porous polynorbornene backbone to create a class of distinctive porous organic polymers, named BIT‐POP‐14–BIT‐POP‐17. Through a reductive capture mechanism, the reductive adsorption sites of N‐phenylpyrrolidine coordinate selectively with precious metals, the reduced metal is captured by the hierarchically porous polymers with flexible backbone. This approach leads to remarkable gold recovery efficiency, achieving a record of 2321 mg g−1 at ambient conditions, and 3020 mg g−1 under UV light, surpassing the theoretical limit. The porous polymers are filled in a column for a continuous uptake of gold from waste printed circuit boards (PCBs), showing recovery efficiency toward gold as high as 95% after 84 h. Overall, this work offers a new perspective on designing novel adsorbents for precious metal recovery, providing inspiration for researchers to explore novel adsorption modes and contribute to the advancement of the circular economy.
Ultrafast Photoexcitation Induced Passivation for Quasi‐2D Perovskite Photodetectors
Authors: Yue Yunfan , Chai NianYao , Li Mingyu , Zeng Zhongle , Li Sheng , Chen Xiangyu , Zhou Jiakang , Wang Huan , Wang Xuewen
Published: June 2024

Quasi‐2D perovskites exhibit great potential in photodetectors due to their exceptional optoelectronic responsivity and stability, compared to their 3D counterparts. However, the defects are detrimental to the responsivity, response speed, and stability of perovskite photodetectors. Herein, an ultrafast photoexcitation‐induced passivation technique is proposed to synergistically reduce the dimensionality at the surface and induce oxygen doping in the bulk, via tuning the photoexcitation intensity. At the optimal photoexcitation level, the excited electrons and holes generate stretching force on the Pb─I bonds at the interlayered [PbI6]−, resulting in low dimensional perovskite formation, and the absorptive oxygen is combined with I vacancies at the same time. These two induced processes synergistically boost the carrier transport and interface contact performance. The most outstanding device exhibits a fast response speed with rise/decay time of 201/627 ns, with a peak responsivity/detectivity of 163 mA W−1/4.52 × 1010 Jones at 325 nm and the enhanced cycling stability. This work suggests the possibility of a new passivation technique for high performance 2D perovskite optoelectronics.
Direct Evidence of Ultrafast Energy Delocalization Between Optically Hybridized J‐Aggregates in a Strongly Coupled Microcavity
Authors: Russo Mattia , Georgiou Kyriacos , Genco Armando , De Liberato Simone , Cerullo Giulio , Lidzey David G. , Othonos Andreas , Maiuri Margherita , Virgili Tersilla
Published: June 2024

Strong coupling between light and matter in a microcavity can produce quasi‐particle states termed cavity‐polaritons. In cavity architectures containing more than one excitonic species, the photon mode can simultaneously couple to the different excitons, generating new ʻhybrid‐polaritonʼ states. It is demonstrated that such hybrid polariton states can energetically connect different molecular species, even when their intermolecular distance is much larger than the Förster transfer radius. Here, this mechanism is unveiled and observed in the time domain energy delocalization in a strongly coupled cavity containing two layers of donor and acceptor molecules, separated by an inert spacer layer of 2 µm thickness. 2D electronic spectroscopy is used, a technique that provides simultaneously high spectral and temporal resolution, to probe the dynamics of the energy flow processes following ultra‐fast excitation. It shows that energy is almost instantaneously delocalized among the polariton states, providing a direct connection between very highly separated donor and acceptor molecules. The results are of potential significance for light‐harvesting devices, optoelectronics, and bio‐photonic systems.
Controllable Regulation of Inorganic‐Layer Thickness of Polar 2D Homologue Perovskites toward Self‐Powered Polarization‐Sensitive Photodetection
Authors: Ni Huaimin , Xu Haojie , Liu Yi , Zeng Xi , Guo Wuqian , Zhu Pengfei , Zhao Zihao , Rong Hao , Luo Junhua , Sun Zhihua
Published: June 2024

Polarization‐sensitive photodetection has intensive practical applications, including optical anti‐counterfeiting, image encryption, and remote sensing. 2D hybrid perovskites have emerged as a robust candidate in this portfolio, due to their inherent quantum‐confined structure and anisotropic properties. However, studies on the chemical assembly of inorganic‐layer thickness to regulate structural anisotropy and polarization‐sensitive photodetection behavior remain insufficient. Here, the inorganic‐layer thickness of 2D homologous perovskites is regulated, (MBA)2(CH3NH3)n−1PbnI3n+1 (n = 1–3, where MBA = 4‐methylbenzylamine), featuring the similar polar structures and strong optical anisotropy. Notably, photoelectric merits are greatly improved from n = 1 to n = 3 with the weakening of the quantum confinement effect. Under illumination, the n = 3 member exhibits large on/off ratios of photocurrent (≈2.1 × 104) far beyond other lower‐layered counterparts. The polarized‐light photodetector based on n = 3 crystal shows intriguing behaviors, including noticeable responsivity (1.2 mA W−1), detectivity (9.5 × 1013 Jones), and superior photocurrent anisotropy (≈110.4). Besides, fascinating self‐powered polarization behaviors with a large anisotropy contrast are achieved based on the bulk photovoltaic effect, stemming from the structural polarity. These characteristics underscore the design strategy of inorganic‐layer regulation in advancing the exploration of new 2D perovskite candidates for polarization‐based optoelectronics.
Promoting Electrocatalytic Glycerol C─C Bond Cleavage to Formate Coupled with H2 Production Over a CuxNi2–xP Catalyst
Authors: Ma Lili , Miao Yucong , Yang Jiangrong , Fu Yu , Yan Yifan , Zhang Zhiyuan , Li Zhenhua , Shao Mingfei
Published: June 2024

Electrocatalytic oxidation of glycerol, an oversupplied byproduct of the biodiesel industry, into high‐valued chemicals is alluring to diminishing current dependence on fossil energy. Formic acid is an important glycerol oxidation product that serves as a high‐energy‐density fuel and crucial precursor for the fine chemical industry while developing an electrocatalyst to efficiently convert glycerol into formic acid remains a challenge. Herein, a Cu‐doped nickel phosphide (CuxNi2–xP) electrocatalyst, achieving formate productivity of ≈11 mol m−2 h−1 at 1.54 V versus RHE over a broad glycerol concentration range (10–100 mm) is reported, which is greater than threefolds than that of Ni2P. Furthermore, CuxNi2–xP can enhance the cleavage of C─C bond in glycerol, reducing the production of intermediates and thus attaining high selectivity of formate. In situ experiments integrated with density functional theory (DFT) calculation revealed that the doping of Cu can promote the generation of NiIII─OOH species and enrich glycerol substrates in local environments on CuxNi2–xP surface, thus facilitating reaction efficiency. Finally, the study designed a membrane‐free flow electrolyzer for continuous upgrading glycerol to formate, attaining 16.4 mmol of formate coupled with 0.68 L of H2 at 1.75 V in 8 h.
An Ensemble Cascade Forest‐Based Framework for Multi‐Omics Drug Response and Synergy Prediction
Authors: Li Ruijiang , Sui Binsheng , Leng Dongjin , He Song , Liu Kunhong , Bo Xiaochen
Published: June 2024

The obscure drug response continues to be a limiting factor for accurate cures for cancer. Next generation sequencing technologies have propelled the pharmacogenomic studies with characterized large panels of cancer cell line at multi‐omics level. However, the sufficient integration of the multi‐omics data and the efficient prediction for drug response and synergy still remain a challenge. To address these problems, ECFD is designed, an ensemble cascade forest‐based framework that predicts drug response and synergy using five types of omics data. Experimental results show the significant advantages of the ECFD model over existing models. The best integration of feature extraction is determined and the superiorities of robust stability in the face of new and small samples are highlighted. In addition, the methodological framework highlights the explainability of the model, the mechanisms of drug resistance and drug combination treatment strategies based on explainable analyses and biological networks. In sum, ECFD may facilitate the evaluation of drug response and speculation of potential synergy therapies in personalized and precision treatment.
Work‐related suicide: Evolving understandings of etiology & intervention
Authors: LaMontagne Anthony D. , Åberg Maria , Blomqvist Sandra , Glozier Nick , Greiner Birgit A. , Gullestrup Jorgen , Harvey Samuel B. , Kyron Michael J. , Madsen Ida E. H. , Hanson Linda Magnusson , Maheen Humaira , Mustard Cameron , Niedhammer Isabelle , Rugulies Reiner , Smith Peter M. , Taouk Yamna , Waters Sarah , Witt Katrina , King Tania L.
Published: June 2024

Previously published analyses of suicide case investigations suggest that work or working conditions contribute to 10%–13% of suicide deaths. Yet, the way in which work may increase suicide risk is an underdeveloped area of epidemiologic research. In this Commentary, we propose a definition of work‐related suicide from an occupational health and safety perspective, and review the case investigation‐based and epidemiologic evidence on work‐related causes of suicide. We identified six broad categories of potential work‐related causes of suicide, which are: (1) workplace chemical, physical, and psychosocial exposures; (2) exposure to trauma on the job; (3) access to means of suicide through work; (4) exposure to high‐stigma work environments; (5) exposure to normative environments promoting extreme orientation to work; and (6) adverse experiences arising from work‐related injury or illness. We summarise current evidence in a schema of potential work‐related causes that can also be applied in workplace risk assessment and suicide case investigations. There are numerous implications of these findings for policy and practice. Various principle‐ and evidence‐based workplace intervention strategies for suicide prevention exist, some of which have been shown to improve suicide‐prevention literacy, reduce stigma, enhance helping behaviours, and in some instances maybe even reduce suicide rates. Prevailing practice in workplace suicide prevention, however, overly emphasises individual‐ and illness‐directed interventions, with little attention directed to addressing the working conditions that may increase suicide risk. We conclude that a stronger emphasis on improving working conditions will be required for workplace suicide prevention to reach its full preventive potential.
Pathogenic FLNA variants affecting the hinge region of filamin A are associated with male survival
Authors: Wade Emma M. , Morgan Tim , Gimenez Gregory , Jenkins Zandra A. , Titheradge Hannah , O'Donnell Marie , Skidmore David , Suri Mohnish , Robertson Stephen P.
Published: June 2024

Pathogenic variants in FLNA cause a diversity of X‐linked developmental disorders associated with either preserved or diminished levels of filamin A protein and are conceptualized dichotomously as relating to underlying gain‐ or loss‐of‐function pathogenic mechanisms. Hemizygosity for germline deletions or truncating variants in FLNA is generally considered to result in embryonic lethality. Structurally, filamin A is composed of an N‐terminal actin‐binding region, followed by 24 immunoglobulin‐like repeat units. The repeat domains are separated into distinct segments by two regions of low‐complexity known as hinge‐1 and hinge‐2. Hinge‐1 is proposed to confer flexibility to the otherwise rigid protein and is a target for cleavage by calpain with the resultant filamin fragments mediating crucial cellular signaling processes. Here, three families with pathogenic variants in FLNA that impair the function of hinge‐1 in males are described, leading to distinct clinical phenotypes. One large in‐frame deletion that includes the hinge leads to frontometaphyseal dysplasia in affected males and females, while two germline truncating variants located within the exon encoding hinge 1 result in phenotypes in males that are explained by exon skipping and under‐expression of a transcript that deletes hinge‐1 from the resultant protein. These three variants affecting hinge‐1 indicate that this domain does not mediate cellular functions that, when deficientresult in embryonic lethality in males and that germline truncating variants in this region of FLNA can result in viable phenotypes in males.
Enhancing nasal endoscopy: Classification, detection, and segmentation of anatomic landmarks using a convolutional neural network
Authors: Ganeshan Vinayak , Bidwell Jonathan , Gyawali Dipesh , Nguyen Thinh S. , Morse Jonathan , Smith Madeline P. , Barton Blair M. , McCoul Edward D.
Published: June 2024

Key points

A convolutional neural network (CNN)‐based model can accurately localize and segment turbinates in images obtained during nasal endoscopy (NE).

This model represents a starting point for algorithms that comprehensively interpret NE findings.
Transiente Strukturelle Eigenschaften des Rho‐GDP‐Dissoziationsinhibitors
Authors: Medina Gomez Sara , Visco Ilaria , Merino Felipe , Bieling Peter , Linser Rasmus
Published: June 2024

Rho‐GTPasen, räumliche Hauptregulatoren einer Vielzahl zellulärer Prozesse, werden durch Komplexbildung mit Guaninnukleotid‐Dissoziationsinhibitoren (RhoGDIs) reguliert. Man nimmt bisher an, dass diese einen unstrukturierten N‐Terminus aufweisen, der den Nukleotidaustausch ihres Klienten bei der Bindung/Faltung hemmt. Mithilfe von NMR‐Analysen, Molekulardynamiksimulationen und biochemischen Tests konnten wir stattdessen relevante strukturelle Eigenschaften des Terminus nachweisen, die sowohl in Anwesenheit als auch in Abwesenheit des Klienten transient existieren, allerdings kontextspezifisch variiert werden. Diese Beobachtungen revidieren das seit Langem bestehende Bild zum Mechanismus der Membranextraktion der GTPasen. Der komplexe und hochselektive Extraktionsprozess der RhoGTPasen wird nicht durch das gleichzeitige Falten und Binden eines sterisch blockierenden Peptides, sondern durch ein dynamisches Ensemble mit vordefinierten transienten strukturellen Eigenschaften orchestriert, die durch die spezifische Umgebung entlang des mehrstufigen Prozesses noch moduliert werden können.
Dissecting Exciton Dynamics in pH‐Activatable Long‐Wavelength Photosensitizers for Traceable Photodynamic Therapy
Authors: Liu Yurong , Zhang Jing , Zhou Xuan , Wang Yaru , Lei Shan , Feng Guangle , Wang Dong , Huang Peng , Lin Jing
Published: June 2024

Tumor‐specific activatable long‐wavelength (LW) photosensitizers (PSs) show promise in overcoming the limitations of traditional photodynamic therapy (PDT), such as systemic phototoxicity and shallow tissue penetration. However, their insufficient LW light absorption and low singlet oxygen quantum yield (Φ 1O2) usually require high laser power density to produce thermal energy and synergistically enhance PDT. The strong photothermal radiation causing acute pain significantly reduces patient compliance and hinders the broader clinical application of LW PDT. Through the exciton dynamics dissection strategy, we have developed a series of pH‐activatable cyanine‐based LW PSs (LET‐R, R = H, Cl, Br, I), among which the activated LET‐I exhibits strong light absorption at 808 nm and a remarkable 3.2‐fold enhancement in Φ 1O2 compared to indocyanine green. Transient spectroscopic analysis and theoretical calculations confirmed its significantly promoted intersystem crossing and simultaneously enhanced LW fluorescence emission characteristics. These features enable the activatable fluorescence and photoacoustic dual‐modal imaging‐escorted complete photodynamic eradication of tumors by the folic acid (FA)‐modified LET‐I probe (LET‐I‐FA), under the ultralow 808 nm laser power density (0.2 W cm−2) for irradiation, without the need for photothermal energy synergy. This research presents a novel strategy of dissecting exciton dynamics to screen activatable LW PSs for traceable PDT.
Metal‐Mediated Synthesis of a Mixed Arduengo‐Fischer Carbodicarbene Ligand
Authors: Kooij Bastiaan , Chen Damien W. , Fadaei‐Tirani Farzaneh , Severin Kay
Published: June 2024

Carbodicarbenes are strong C‐donor ligands, which have found numerous applications in organometallic and main group element chemistry. Herein, we report a structurally distinct carbodicarbene ligand, which is formed by dinitrogenative coupling of a Fischer carbene complex with an N‐heterocyclic diazoolefin. The resulting carbonyl complex serves as a stable source for the mixed Arduengo‐Fischer carbodicarbene ligand. Facile ligand transfer reactions were demonstrated to occur with gold(I), copper(I), palladium(II), and rhodium(I) complexes.
Aggregative Luminescence from CsPbBr3 Perovskite Precursors
Authors: Zhang Siwei , Ma Fulong , Jiang Jinhui , Wang Zaiyu , Kwok Ryan T. K. , Qiu Zijie , Zhao Zheng , Lam Jacky W. Y. , Tang Ben Zhong
Published: June 2024

Understanding the properties of the precursor can provide deeper insight into the crystallization and nucleation mechanisms of perovskites, which is vital for the solution‐process device performance. Herein, we conducted a detailed investigation into the photophysics properties of CsPbBr3 precursors in a broad concentration and various solvents. The precursor transformed from the solution state into the colloidal state and exhibited aggregation‐induced emission character as the concentration increased. The aggregative luminescence from the precursors originates from the polybromide plumbous that is formed through the coordination of solvent molecules to the lead metal center. Two adducts with monodentate (PbBr2 ⋅ solvent) and bidentate (PbBr2 ⋅ 2solvent) ligands can be obtained, accompanied by emission with photoluminescence at 610 and 565 nm, respectively. Furthermore, the aggregative luminescence intensity and color could be regulated by changing the solvent and precursor ratio. Besides, we discussed the difference between the molecular aggregate in the organic system and the ionic aggregate in the inorganic system: the ionic aggregate is composed of solvated ions rather than individual molecules as in organic systems, which could possess properties that ions do not have. The fluorescence that is sensitive to Pb2+ coordination reported here could be applied to screen perovskite additives and judge the precursor aging.
Solid‐state Suzuki–Miyaura cross‐coupling: A sustainable approach by DDIL‐stabilized magnetic separable and recyclable Pd nanoparticles with total solvent bypass
Authors: Bagade Kiran S. , Jadhav Dipti D. , Kumbhar Arjun S.
Published: June 2024

A new method for the sustainable synthesis of various functionalized biaryls through the solid‐state Suzuki–Miyaura cross‐coupling reaction has been developed. This solid‐state protocol employs a palladium catalyst anchored on diazabicyclo[2.2.2]octane silica ferrite composite (Pd‐DDIL@Fe3O4‐SiO2). The catalyst has been fully characterized using multiple techniques such as FTIR, XRD, FESEM, EDS, elemental mapping, HR‐TEM, XPS, BET, TGA‐DTA, and VSM. The Pd‐DDIL@Fe3O4‐SiO2 catalyst has a surface area of 60.17 m2 g−1 and a magnetization saturation of 40.95 emu g−1. The TEM analysis revealed the rough spherical morphology of PdNPs having a particle size of 7 nm. The catalyst has excellent activity and selectivity towards the synthesis of both symmetrical and unsymmetrical biaryls under solid‐state, solvent‐free grinding conditions using a mortar and pestle. This method is eco‐friendly, as it is performed at room temperature without any solvents. The method employs the excellent yield of the products (90–96%) in a short reaction time (3–20 min). The desired products are isolated easily without any use of organic solvents. The catalyst can be easily separated using an external magnet and reused at least six times with an admirable change in yield. Additionally, the catalytic system has been shown to have a high TON and TOF, thus confirming its sustainability.
Defect‐induced ferromagnetic ordering in pristine cuprous oxide nanocrystals at room temperature
Authors: Jebakumar D. S. Ivan , Jebamary S. Asha , Selvi P. Mari
Published: June 2024

Herein we report the existence of room temperature ferromagnetic ordering in pristine cuprous oxide nanocrystals mediated by native point defects present in the material. To demonstrate defect‐induced magnetism, cuprous oxide nanocrystals were synthesized in a simple and sustainable route employing hydroxylamine as the reducing agent. The crystalline phase of the as‐synthesized nanocrystals was investigated and was found to have crystallized in cuprite crystal structure. The optical absorption characteristics exhibits absorption features in the visible region between 400 and 600 nm signifying the presence of optically active defects. The morphology of the sample was examined, which reveals the shape to be corner‐truncated rhombic dodecahedral and the size to be in the range of 200–250 nm. The field‐dependent magnetization measurement at room temperature indicates the presence of collective ferromagnetism with hysteresis behavior (Ms = 210 memu g−1, Mr = 43 memu g−1, Hc = 16.37 mT) due to exchange interaction between the uncompensated spin moments present on the surface of the material.
Effect analysis of temperature and initial water content on the adsorption and separation of VOCs by ZIF‐8 based on molecular simulation
Authors: Li Xiaotong , Zheng Yongyin , Huang Weiqiu , Li Xufei , Wang Xinya , Liu Lin , Zhong Jing , Feng Fangrui
Published: June 2024

Volatile organic compounds (VOCs) have seriously polluted the atmospheric environment and caused harmful effects on human beings, so it is imperative to control oil vapor emissions. Metal organic framework materials, as one of the porous materials, have a good application prospect in the field of gas adsorption separation. In this paper, the effects of temperature and initial water content (IWC) on the adsorption properties of methane (CH4), ethane (C2H6), ethylene (C2H4), propane (C3H8), and propylene (C3H6) by ZIF‐8 were studied by combining the large gauge Monte Carlo (GCMC) and ideal adsorption solution theory. The results show that the higher the temperature is, the lower the adsorption capacity is, the higher the threshold pressure is, and the single molecule interaction energy changes little with temperature. But pore volume is still the main influencing factor. The IWC also reduces the saturated adsorption capacity. Preloaded water molecules can enhance the electrostatic interaction at low pressure, thus affecting the adsorption heat and interaction energy of single molecules. Overall, these findings provide valuable mechanistic insights into the effects of temperature and IWC on the adsorption properties of ZIF‐8 for VOCs.
Influence of dangling chains on the microphase separation and damping properties of polyurethane
Authors: Shi Keyu , Li Xiaodong , Lei Lisha , Chen Pan , Ge Mengchen , Wu Tianhao , Jiang Hao , Zou Meishuai
Published: June 2024

Understanding how dangling fragments of polyurethanes (PU) affect its microphase separation structure and damping properties can provide insights for designing desired materials at the molecular scale. By varying the types of diol extenders (such as 1,2‐ethyleneglycol, 1,2‐propanediol, and 1,2‐butanediol), PU samples with different dangling residues were successfully synthesized. Using atomic force microscopy and small‐angle x‐ray scattering, we confirmed that the introduction of dangling chains disrupts microphase separation and demonstrated a correlation between the degree of suppressed microphase separation and the size of the dangling residues. Fourier transform infrared spectroscopy and molecular dynamics simulations confirmed that dangling chains reduce the hydrogen bonding index while increasing the phase compatibility between soft and hard segments. Differential scanning calorimetry (DSC) measurements revealed an increased glass transition temperature (Tg), indicating hindered movement of backbone segments due to dangling chains. Moreover, lengthening the dangling chains further decreased Tg. Dynamic mechanical analysis (DMA) demonstrated improved damping properties with the introduction of dangling chains, although increasing chain length led to deteriorating damping properties, consistent with observations from DSC. These findings suggest that the variations in macroscopic properties of PU induced by dangling chains are linked to hydrogen bonding interactions and micromorphology at the molecular level.
Efficient Conversion of Glucose to Hydroxymethylfurfural: One‐pot Brønsted Base and Acid Promoted Selective Isomerization and Dehydration
Authors: Altia Minakshi , Anbarasan Pazhamalai
Published: June 2024

Development of elegant, selective, and efficient strategies for the production of value‐added platform chemicals from renewable feedstocks are in high demand to achieve the future needs and sustainable goals. In this context, an efficient acid‐promoted synthesis of highly valuable hydroxymethylfurfural (HMF) has been demonstrated from glucose, a major constituent of lignocellulosic biomass. The major challenge in the conversion of glucose to HMF is the selective isomerization of glucose to ketose, which in the present work has been successfully addressed through the amine‐mediated rearrangement of glucose to aminofructose under Amadori rearrangement. Importantly, subsequent dehydration step affords HMF and regenerates the amine employed in the first step, which could be readily recovered. In addition, scale‐up and successful integration into one‐pot synthesis of HMF proves the efficiency and applicability of the present transformation in large scale application. In addition, the method was also successfully extended to other monosaccharides and disaccharides to produce HMF.
Synthesis of organic solvent‐free nitrogen‐doped carbon quantum dots as unique green fluorimetric probes for analysis of abrocitinib in human plasma
Authors: Salman Baher I. , Abdel‐Lateef Mohamed A. , Alzahrani Eman , Al‐Harrasi Ahmed , Ibrahim Adel Ehab , El‐Shoura Ehab A. M. , Hassan Yasser F.
Published: June 2024

Atopic dermatitis (AD) is a persistent, inflammatory skin condition that impacts approximately 15 to 20% of children and 1 to 3% of adults globally. Common skin manifestations include papules, papulovesicular, and brown or red patches with swelling, crusting, and flaking. Therefore, the drug abrocitinib (ABR) was approved by the US FDA as an oral treatment for atopic dermatitis. The present study outlines the development of innovative, thermostable, and pH‐stable organic solvent‐free nitrogen‐doped carbon dots (N@CQDs) synthesized through a one‐step method for evaluating ABR with a notable quantum yield of 33.84% to minimize the use of organic solvents. Their cost‐effectiveness, eco‐friendly characteristics, and outstanding photocatalytic properties have established them as a promising alternative to conventional luminescent techniques like fluorescent dyes and luminous derivatization technique. The reaction of ABR with N@CQDs led to a significant decrease in the luminescent response of the produced green and stable carbon quantum dots at 513 nm. The detection range was determined to be 1.0–150.0 ng mL−1, with a lower limit of quantitation (LOQ) equal to 0.52 ng mL−1 based on the linear graph. The green method effectively used for analysis of ABR in pharmaceutical tablets and pharmacokinetic study with high sensitivity.
Nanobiosensors based on on‐site detection approaches for rapid pesticide sensing in the agricultural arena: A systematic review of the current status and perspectives
Authors: Srinivasan Subramani , Raajasubramanian Devarajan , Ashokkumar Natarajan , Vinothkumar Veerasamy , Paramaguru Nagarajan , Selvaraj Palanisamy , Kanagalakshimi Ambothi , Narendra Kuppan , Shanmuga Sundaram Chinna Krishnan , Murali Raju
Published: June 2024

The extensive use of chemical pesticides has significantly boosted agricultural food crop yields. Nevertheless, their excessive and unregulated application has resulted in food contamination and pollution in environmental, aquatic, and agricultural ecosystems. Consequently, the on‐site monitoring of pesticide residues in agricultural practices is paramount to safeguard global food and conservational safety. Traditional pesticide detection methods are cumbersome and ill‐suited for on‐site pesticide finding. The systematic review provides an in‐depth analysis of the current status and perspectives of nanobiosensors (NBS) for pesticide detection in the agricultural arena. Furthermore, the study encompasses the fundamental principles of NBS, the various transduction mechanisms employed, and their incorporation into on‐site detection platforms. Conversely, the assortment of transduction mechanisms, including optical, electrochemical, and piezoelectric tactics, is deliberated in detail, emphasizing its advantages and limitations in pesticide perception. Incorporating NBS into on‐site detection platforms confirms a vital feature of their pertinence. The evaluation reflects the integration of NBS into lab‐on‐a‐chip systems, handheld devices, and wireless sensor networks, permitting real‐time monitoring and data‐driven decision‐making in agronomic settings. The potential for robotics and automation in pesticide detection is also scrutinized, highlighting their role in improving competence and accuracy. Finally, this systematic review provides a complete understanding of the current landscape of NBS for on‐site pesticide sensing. Consequently, we anticipate that this review offers valuable insights that could form the foundation for creating innovative NBS applicable in various fields such as materials science, nanoscience, food technology and environmental science.
Hybrid coatings on dental and orthopedic titanium implants: Current advances and challenges
Authors: Tang Weilong , Fischer Nicholas G. , Kong Xinzi , Sang Ting , Ye Zhou
Published: June 2024

Dental and orthopedic titanium implants are successfully and widely used but still face challenges due to complications leading to high treatment cost, morbidity, and even mortality. This review focuses on the hybrid coatings designed to prevent and mitigate implant failure by integrating multiple strategies and materials. The forms of manufacturing and synthesizing hybrid coatings were first discussed. We then categorize these coatings based on their biological functions: antibacterial coatings, which are essential for preventing difficult‐to‐treat infection; coatings designed to promote osseointegration, crucial for the mechanical stability of implants; coatings that encourage soft tissue attachment, contributing to the overall success and esthetics of implant. We summarize the state of the art in multifunctional coatings that integrate multiple biological functions as an alternative, holistic approach for reducing implant complications. The review culminates in a discussion on future directions in the field, emphasizing the potential and notable challenges these biofunctional hybrid coatings face toward obtaining commercial success in patients. Together, our article provides a comprehensive overview of current developments and a glimpse into the future of hybrid coatings for potentially revolutionizing dental and orthopedic implants.
High‐throughput in silico workflow for optimization and characterization of multimodal chromatographic processes
Authors: Altern Scott H. , Lyall Jessica Y. , Welsh John P. , Burgess Sean , Kumar Vijesh , Williams Chris , Lenhoff Abraham M. , Cramer Steven M.
Published: June 2024

While high‐throughput (HT) experimentation and mechanistic modeling have long been employed in chromatographic process development, it remains unclear how these techniques should be used in concert within development workflows. In this work, a process development workflow based on HT experiments and mechanistic modeling was constructed. The integration of HT and modeling approaches offers improved workflow efficiency and speed. This high‐throughput in silico (HT‐IS) workflow was employed to develop a Capto MMC polishing step for mAb aggregate removal. High‐throughput batch isotherm data was first generated over a range of mobile phase conditions and a suite of analytics were employed. Parameters for the extended steric mass action (SMA) isotherm were regressed for the multicomponent system. Model validation was performed using the extended SMA isotherm in concert with the general rate model of chromatography using the CADET modeling software. Here, step elution profiles were predicted for eight RoboColumn runs across a range of ionic strength, pH, and load density. Optimized processes were generated through minimization of a complex objective function based on key process metrics. Processes were evaluated at lab‐scale using two feedstocks, differing in composition. The results confirmed that both processes obtained high monomer yield (>85%) and removed of aggregate species. Column simulations were then carried out to determine sensitivity to a wide range of process inputs. Elution buffer pH was found to be the most critical process parameter, followed by resin ionic capacity. Overall, this study demonstrated the utility of the HT‐IS workflow for rapid process development and characterization.
The mucosal released‐coronally advanced flap: A novel surgical approach—A case report
Authors: Pilloni Andrea , Dell'Olmo Fabiola
Published: June 2024

Background

The coronally advanced flap (CAF) can be a predictable surgical technique for the treatment of gingival recessions. However, the characteristics of the defect (e.g., limited amount of keratinized gingiva or flap tension, etc.) may limit the use of the CAF with a possible requirement of additional surgical interventions (i.e., the use of a tissue graft to be harvested from donor sites or connective tissue substitutes).

Methods

A 28‐year‐old woman patient, with no history of periodontal disease, came for referral presenting receding gums as a chief complaint, poor esthetics, and dentinal hypersensitivity at the buccal surface of teeth 11, 12, and 13. Clinically, she presented a thick phenotype with gingival recession type, RT1, with detectable cemento‐enamel junction (A‒) in the second quadrant. To reduce the need of harvesting soft tissue grafts, the amount of cutting of muscles and vessels from the inner portion of the flap and mitigate the postoperative discomfort associated with the CAF, a novel surgical approach is described here using an advanced flap that incorporates an external incision along the mucogingival junction.

Results

The average root coverage achieved with the novel procedure presented in this case report was 95%, along with an increased amount of keratinized gingiva and minimal postoperative patient's discomfort.

Conclusions

The mucosal released CAF is a promising technique in which the CAF technique alone may not be an indication.

Key points

This technique has the following advantages:

Reduce the need of harvesting soft tissue grafts.

Reduce the amount of cutting of muscles and vessels from the inner portion of the flap.

Minimal postoperative discomfort for the patient.
New Phenylpropanoids and Disulphides Dimers from Ferula Kuhistanica
Authors: Ashurov Khushang , Numonov Sodik , Turak Ablajan
Published: June 2024

Five undescribed compounds, including three phenylpropanoid derivatives, 4′‐methoxycinnamyl isobutyrate (1), 4′‐methoxycinnamyl‐2“‐methyl butyrate (2) and (2Z)‐3′,4′‐dimethoxycinnamyl isovalerate (3) and two disulphides dimers, kuhistanicasulphide A (7) and kuhistanicasulphide B (8) together with five known ones, including three phenylpropanoids (4–6) and two disulphides (9–10), were isolated from the roots of Ferula kuhistanica Korovin. Their structures were elucidated on the basis of spectroscopic analysis, including IR, UV, HRESIMS, NMR and quantum 13C NMR DP4+ probability. Anti‐inflammatory and cytotoxic (Hela, A549 and HT‐29 cell lines) activities of the obtained compounds was tested, which compounds 4 and 5 demonstrated good anti‐inflammatory with IC50 values of 25.41±2.30 μM and 31.70±3.82 μM, respectively.
Production of C2−C4 Olefins with Fischer‐Tropsch‐Synthesis: The Effect of Cu Promoter Loading on an Fe−Cu−K/SiO2 Catalyst
Authors: Heikkinen Niko , Dhamo Dorela , Uotila Ida , Reinikainen Matti , Dittmeyer Roland
Published: June 2024

In this study we focus on the iron‐based catalyst to produce C2−C4 olefin hydrocarbons via the high‐temperature Fischer‐Tropsch synthesis. Promoters have a significant impact on catalyst stability, activity, and product selectivity. Therefore, we investigated the effect of the Cu promoter in an Fe−Cu−K/SiO2 catalyst. We compared the catalyst without Cu and 1, 2, 3, 4, and 5 wt % Cu loadings. The overall catalyst activity increased from 0 to 3 wt % Cu loading and started to decrease at 4 and 5 wt % Cu loadings. Although overall catalyst activity had an optimum with 3 and 4 wt % Cu loading, the Cu loading had a negligible effect on product selectivity. However, when compared to a non‐Cu promoted catalyst, the Cu addition increased the selectivity towards olefinic C2−C4 hydrocarbons. The Fischer‐Tropsch experiments were performed in a tubular reactor system at 300 °C, 21 bar and H2 : CO=2 at different feed volume flows, with hydrogen activation. According to the performed temperature‐programmed dynamic chemisorption analysis, the Cu promoter assisted the iron reduction, and the lower overall activity to 0–2 wt % Cu loading might relate to insufficient dissociated H surface species, rather than the availability of C from dissociated CO.
Pathways to chronic disease detection and prediction: Mapping the potential of machine learning to the pathophysiological processes while navigating ethical challenges
Authors: Afrifa‐Yamoah Ebenezer , Adua Eric , Peprah‐Yamoah Emmanuel , Anto Enoch O. , Opoku‐Yamoah Victor , Acheampong Emmanuel , Macartney Michael J. , Hashmi Rashid
Published: June 2024

Chronic diseases such as heart disease, cancer, and diabetes are leading drivers of mortality worldwide, underscoring the need for improved efforts around early detection and prediction. The pathophysiology and management of chronic diseases have benefitted from emerging fields in molecular biology like genomics, transcriptomics, proteomics, glycomics, and lipidomics. The complex biomarker and mechanistic data from these “omics” studies present analytical and interpretive challenges, especially for traditional statistical methods. Machine learning (ML) techniques offer considerable promise in unlocking new pathways for data‐driven chronic disease risk assessment and prognosis. This review provides a comprehensive overview of state‐of‐the‐art applications of ML algorithms for chronic disease detection and prediction across datasets, including medical imaging, genomics, wearables, and electronic health records. Specifically, we review and synthesize key studies leveraging major ML approaches ranging from traditional techniques such as logistic regression and random forests to modern deep learning neural network architectures. We consolidate existing literature to date around ML for chronic disease prediction to synthesize major trends and trajectories that may inform both future research and clinical translation efforts in this growing field. While highlighting the critical innovations and successes emerging in this space, we identify the key challenges and limitations that remain to be addressed. Finally, we discuss pathways forward toward scalable, equitable, and clinically implementable ML solutions for transforming chronic disease screening and prevention.
Machine Learning Orchestrating the Materials Discovery and Performance Optimization of Redox Flow Battery
Authors: Tang Lina , Leung Puiki , Xu Qian , Flox Cristina
Published: June 2024

This review exploits the crucial role of computational methods in discovering and optimizing materials for redox flow batteries (RFBs). Integration of high‐throughput computational screening (HTCS) and machine learning (ML) accelerates materials discovery, guided by algorithms categorizing RFBs. A collaborative exploration, spanning macroscopic to mesoscopic scales, combines quantum machine learning with reinforcement learning, transfer learning, time series analysis, Bayesian optimization, active learning and various generative models. The collaborative integration of ML with computational techniques and experimental methods, anchored in experimentally validated Density Functional Theory (DFT) calculations and molecular dynamics (MD) simulations, proves indispensable for cost‐effective RFBs. Data collection and feature engineering are explored, emphasizing the integration of optimization goals and precise data collection within the ML framework. Feature analysis importance is highlighted, utilizing methods such as the filter, embedded, wrapper and deep learning methods for efficient energy materials exploration. Computational perspectives on materials features and operating conditions encompass membrane characteristics, fluid dynamics, temperature dependence and pressure sensitivity. Time‐dependent features and ML‐generated insights are crucial for understanding cycling performance intricacies, providing a comprehensive understanding of RFB materials.
Functional Biomass‐Derived Materials for the Development of Sustainable Batteries
Authors: Feng Ailing , Zhu Xu , Chen Yanan , Liu Peitao , Han Fengbo , Zu Yanqing , Li Xiaodong , Bi Pengfei
Published: June 2024

With a continually evolving society and increasing environmental energy concerns, green biomass materials are attracting considerable attention in the field of energy storage owing to their low cost, environmental friendliness, and excellent storage capacity. Biomass materials prepared by various methods have been used as electrodes in secondary batteries. In this review, we discuss the application scope of different types of biomass and biomass‐derived materials in zinc‐air, lithium‐ion, and lithium‐sulfur batteries. The application of biomass and biomass‐derived materials in batteries is gaining increasing attention and is expected to drive many exciting innovations in the field of sustainable energy storage technologies.