bluuebunny/crossref_metadata_2025 huggingface dataset:
Electroreduction of CO to 2.8 A cm⁻2 C2+ Products: Maximizing Efficiency with Minimalist Electrode Design Featuring a Mesopore‐Rich Hydrophobic Copper Catalyst Layer
Authors: Chen Silu , Rowley Ben , Ganganahalli Ramesha , Yeo Boon Siang
Published: August 2024

This work shows how hydrophobicity and porosity can be incorporated into copper catalyst layers (CLs) for the efficient electroreduction of CO (CORR) in a flow cell. Oxide‐derived (OD) Cu catalysts are synthesized using K+ and Cs+ as templates, termed respectively as OD‐Cu‐K and OD‐Cu‐Cs. CLs, assembled from OD‐Cu‐K and OD‐Cu‐Cs, exhibit enhanced CORR performance compared to “unmodified” OD‐Cu CL. OD‐Cu‐Cs can notably reduce CO to C2+ products with Faradaic efficiencies (FE) as high as 96% (or 4% FE H2). During CO electrolysis at −3000 mA cm−2 (−0.73 V vs reversible hydrogen electrode), C2+ products and the alcohols are formed with respective current densities of −2804 and −1205 mA cm−2. The mesopores in the OD‐Cu‐Cs CL act as barriers against electrolyte flooding. Contact angle measurements confirm the CL's hydrophobicity ranking: OD‐Cu‐Cs > OD‐Cu‐K > OD‐Cu. The enhanced hydrophobicity of a catalyst is proposed to allow more triple‐phase (CO‐electrolyte‐catalyst) interfaces to be available for CORR. This study shows how the pore size‐hydrophobicity relationship can be harvested to guide the design of a less‐is‐more Cu electrode, which can attain high CORR current density and selectivity, without the additional use of hydrophobic polytetrafluoroethylene particles or dopants, such as Ag.
Initializing Compression Stress to Stabilize the Phase Homogeneity in Bifacial Semitransparent Perovskite Solar Cells
Authors: Wu Hangjuan , Wang Ziyu , Ma Junjie , Cai Meng , Xu Xuanchen , Han Mengqi , Peng Shou , Song Yanlin , Zhang Yiqiang
Published: August 2024

Semitransparent perovskite solar cells (ST‐PSCs) hold great promise for various commercial applications, including building integrated photovoltaics and tandem solar cells. The all‐inorganic perovskite, known for its outstanding optical transparency and thermal stability, emerges as a top contender for ST‐PSCs. However, challenges persist due to phase segregation, which hampers charge carrier transport and operational stability. In this study, an approach is proposed to address these challenges by employing strain engineering to reconstruct the perovskite texture, eliminating inhomogeneities within the perovskite film. The crucial role of compressive strain in stabilizing lattice rigidity and suppressing light‐induced ion migration is demonstrated. Furthermore, a transparent light‐harvesting architecture is devised utilizing a sandwiched layer of gold embedded between MoO3. This design enhances power generation by efficiently harnessing incident light from both the front and rear panel surfaces. Therefore, bifacial ST‐PSCs achieve an equivalent efficiency (ηeq) of 13.97% with an average visible light transmittance of 41.58%, yielding an outstanding light utilization efficiency of up to 5.8%. This research not only advances the understanding of perovskite material phase‐segregation behavior but also introduces an effective strategy for enhancing optical gain without compromising the semitransparent characteristics.
Manipulating Hardness to Construct Favorable Electrode Microstructures for All‐Solid‐State Batteries
Authors: Chen Zhaoyang , Ai Qing , Lakraychi Alae Eddine , Wu Chaoshan , Zhao Lihong , Guo Liqun , Hadjiev Viktor G. , Guo Hua , Fan Zheng , Lou Jun , Liang Yanliang , Yao Yan
Published: August 2024

All‐solid‐state batteries hold great promise for achieving high energy densities. Fabrication of solid‐state electrodes involves cold compaction of the active material—typically an oxide—with a sulfide electrolyte, during which the softer sulfide particles deform and enwrap the harder oxide particles to afford an “active material‐in‐electrolyte” microstructure where the electrolyte forms a continuous ion‐conducting network. This mechanism however does not apply to emerging active materials that promise even higher energy densities like organic and sulfur‐based compounds. These materials are softer than sulfides and form unfavorable “electrolyte‐in‐active material” microstructures where ionic conduction is interrupted. Improvement of these electrodes is challenging in the absence of strategies to overcome the intrinsic material hardnesses. Here, it is demonstrated how the relative hardness difference can be reversed by simultaneously “softening” a sulfide electrolyte Li6PS5Cl by solvent treatment and “hardening” an organic material pyrene‐4,5,9,10‐tetraone (PTO) through partial lithiation. The lithiated PTO ends up harder than the treated Li6PS5Cl, thus forming the favorable “active material‐in‐electrolyte” microstructure. Cell performance improved as a result, including a 91% increase in material utilization compared with electrodes with unfavorable microstructures, as well as enhanced discharge−charge rates and cycling stability. Such a hardness manipulation strategy has broad applications in solid‐state devices and energy storage.
N‐Halogenation by Vanadium‐Dependent Haloperoxidases Enables 1,2,4‐Oxadiazole Synthesis
Authors: Sharma Manik , Patton Zoe E. , Shoemaker Carlie R. , Bacsa John , Biegasiewicz Kyle F.
Published: August 2024

Nitrogen‐containing compounds are valuable synthetic intermediates and targets in nearly every chemical industry. While methods for nitrogen‐carbon and nitrogen‐heteroatom bond formation have primarily relied on nucleophilic nitrogen atom reactivity, molecules containing nitrogen‐halogen bonds allow for electrophilic or radical reactivity modes at the nitrogen center. Despite the growing synthetic utility of nitrogen‐halogen bond‐containing compounds, selective catalytic strategies for their synthesis are largely underexplored. We recently discovered that the vanadium‐dependent haloperoxidase (VHPO) class of enzymes are a suitable biocatalyst platform for nitrogen‐halogen bond formation. Herein, we show that VHPOs perform selective halogenation of a range of substituted benzamidine hydrochlorides to produce the corresponding N’‐halobenzimidamides. This biocatalytic platform is applied to the synthesis of 1,2,4‐oxadiazoles from the corresponding N‐acylbenzamidines in high yield and with excellent chemoselectivity. Finally, the synthetic applicability of this biotechnology is demonstrated in an extension to nitrogen‐nitrogen bond formation and the chemoenzymatic synthesis of the Duchenne muscular dystrophy drug, ataluren.
Nanoporous Heterojunction Photocatalysts with Engineered Interfacial Sites for Efficient Photocatalytic Nitrogen Fixation
Authors: Yuan Ling , Tang Cheng , Du Peiyang , Li Jiaxin , Zhang Chaoqi , Xi Yamin , Bi Yin , Bao Tong , Du Aijun , Liu Chao , Yu Chengzhong
Published: August 2024

Photocatalytic N2 reduction reaction (PNRR) offers a promising strategy for sustainable production of ammonia (NH3). However, the reported photocatalysts suffer from low efficiency with great room to improve regarding the charge carrier utilization and active site engineering. Herein, a porous and chemically bonded heterojunction photocatalyst is developed for efficient PNRR to NH3 production via hybridization of two semiconducting metal—organic frameworks (MOFs), MIL‐125−NH2 (MIL=Material Institute Lavoisier) and Co‐HHTP (HHTP=2,3,6,7,10,11‐hexahydroxytripehenylene). Experimental and theoretical results demonstrate the formation of Ti−O−Co chemical bonds at the interface, which not only serve as atomic pathway for S‐scheme charge transfer, but also provide electron‐deficient Co centers for improving N2 chemisorption/activation capability and restricting competitive hydrogen evolution. Moreover, the nanoporous structure allows the transportation of reactants to the interfacial active sites at heterojunction, enabling the efficient utilization of charge carriers. Consequently, the rationally designed MOF‐based heterojunction exhibits remarkable PNRR performance with an NH3 production rate of 2.1 mmol g−1 h−1, an apparent quantum yield (AQY) value of 16.2 % at 365 nm and a solar‐to‐chemical conversion (SCC) efficiency of 0.28 %, superior to most reported PNRR photocatalysts. Our work provides new insights into the design principles of high‐performance photocatalysts.
Synthesis, Structural Elucidation, Density Functional Theory Calculations, In Vitro Antimicrobial, Anti‐Inflammatory and Anticancer Activities of Novel Zn (II)‐Group Fourteen Heterobimetallic Complexes Derived From Schiff Base Ligand
Authors: Mamta  , Chaudhary Ashu
Published: August 2024

In the present work, new heterobimetallic complexes with the general formula [Zn(C16H32N8)M2(R)4Cl2], where M = Sn (IV) and Si (IV) and R = ‐CH3 and ‐C6H5, were synthesized by reacting the methanolic solution of the monometallic complex [Zn(C16H36N8)Cl2] with group 14 organometallic dichloride [(CH3)2SnCl2/(C6H5)2SnCl2/(CH3)2SiCl2/(C6H5)2SiCl2]. The structures of the synthesized complexes were determined using several spectrometric techniques, including FT‐IR, 1H NMR, 13C NMR, 119Sn NMR, 29Si NMR, ESI‐MS, PXRD, and molar conductivity measurements. Density functional theory (DFT) calculations were carried out to investigate the quantum chemical characteristics of the newly synthesized Zn (II) complexes. The antimicrobial potential of the monometallic and heterobimetallic complexes was evaluated against two Gram‐positive bacteria (Bacillus subtilis and Bacillus cereus), two Gram‐negative bacteria (Xanthomonas campestris and Pseudomonas aeruginosa), and two fungal strains (Aspergillus flavus and Fusarium oxysporum) by the agar well diffusion method, with heterobimetallic complex [Zn(C16H32N8)Sn2(C6H5)4Cl2] as the most potent complex against microbes. The complex [Zn(C16H32N8)Sn2(C6H5)4Cl2] exhibited significant potential in inhibiting inflammation, demonstrating an IC50 value of 9.75 μg/mL, which closely rivals that of the standard drug sodium diclofenac (IC50 = 4.59 μg/mL). Furthermore, all the synthesized compounds were assessed for their anticancer potential against three cancer cell lines (HCT‐116, MCF‐7, and HeLa) by the MTT assay. The results indicated that the complex [Zn(C16H32N8)Sn2(C6H5)4Cl2] exhibited the most pronounced cytotoxic effects, with values of 4.25 ± 0.15 μM, 4.90 ± 0.18 μM, and 5.20 ± 0.24 μM observed for HCT‐116, MCF‐7, and HeLa cancer cell lines, respectively.
Clinicopathological features of hepatoid adenocarcinoma and non‐hepatoid adenocarcinoma of the stomach: A systematic review and meta‐analysis
Authors: Ling Qi , Liu Han‐Lin , Huang Shi‐Ting , Sun Li‐Fei , Wu Wei‐Wei , Kudriashov Valentin , Liu Kai , Yang Kun , Hu Jian‐Kun , Zhang Wei‐Han
Published: August 2024

Background

Hepatoid adenocarcinoma of the stomach (HAS) is an extremely rare and unique malignant gastric tumor with a significantly worse prognosis than non‐hepatoid adenocarcinoma of the stomach (non‐HAS). The present study explored the clinicopathological features of HAS and non‐HAS patients to provide insights into HAS treatment strategies.

Methods

From December 26, 2023, we performed a comprehensive search of the PubMed, Web of Science, Cochrane Library, and Embase.com databases for relevant studies. Two authors independently screened the studies, evaluated their quality, extracted data, and performed the analyses. This study was registered with PROSPERO on January 2, 2024.

Results

Nine retrospective studies were included for analysis after screening 833 articles. A total of 350 and 924 patients were enrolled in the HAS and non‐HAS groups, respectively. While no significant differences were observed in age, sex, tumor size, T3 or T4 stage, and N2 or N3 stage between the two groups, the HAS group exhibited higher rates of lymph node metastasis (OR = 1.93, 95% CI: 1.19–3.13, p = 0.007), liver metastasis (OR = 3.45, 95% CI: 2.26–5.28, p < 0.001), and vascular invasion (OR = 2.76, 95% CI: 2.05–3.71, p < 0.001). Additionally, the HAS group had lower 3‐year survival rates (HR = 2.35, 95% CI: 1.70–3.25, p < 0.001) and 5‐year survival rates (HR = 3.63, 95% CI: 1.49–8.88, p = 0.005), but lower rates of lymphatic permeation (OR = 0.68, 95% CI: 0.47–0.99, p = 0.040).

Conclusion

Based on the current clinical evidence, patients with HAS present distinct clinicopathological features, greater invasiveness, and poorer prognosis than non‐HAS patients. Further research is warranted to develop optimal treatment strategies for HAS.
Exploring the influence of submission devices on customer referral creation and receiver reactions in customer referral programs
Authors: Wolf Lukas , Klopfer Lisa‐Marie , Steul‐Fischer Martina , Reinsperger Maximilian
Published: August 2024

Customer referral programs (CRPs) are considered an effective means of customer acquisition through which firms stimulate existing customers to refer services and products to potential new customers. Digitalization and technological developments have led to the common practice of using digital devices like smartphones or laptops to create and submit customer referrals. This is the first study to investigate the influence of submission devices in CRPs from both the sender's and receiver's perspective. Based on four experiments, we demonstrate that smartphone‐generated referrals are shorter and less positive than those composed on laptops/PCs. These differences in text length and valence negatively influence receiver responses, leading to lower purchase intentions due to the perceived usefulness of the referral mediating this relationship. Our findings underscore the important role of submission devices for online referral behavior and contribute to the growing body of research on device‐mediated consumer behavior, offering crucial insights to optimize the promotion and design of CRPs.
Exploration of Potential Anti‐Inflammatory Cum Anti‐Rheumatoid‐Arthritis Phyto‐Molecule Through Integrated Green Approach: Network Pharmacology, Molecular Docking, Molecular Dynamics, In‐Vitro and Ex‐Vivo Study
Authors: Kumar Amresh , Ashif Ikbal Abu Md , Ahmed Laskar Monjur , Sarkar Avik , Saha Abhishek , Bhardwaj Prashant , Das Suprio , Kumar Singh Santosh , Ghosh Parasar , Kargarzadeh Hanieh , Palit Partha , Dutta Choudhury Manabendra
Published: August 2024

Rheumatoid arthritis (RA) and associated inflammatory complications are the most prevalent illnesses and can turn into fatal conditions if left untreated. Allopathic medicine is not satisfactory for curing RA. Scientific literature reports reveal that several phyto‐compounds viz. flavonoids, saponins, and terpenoids, can heal joints and organs from auto‐inflammatory rheumatoid arthritis and pain. Gene ontology, gene network analysis, molecular clustering, and literature review were used to optimise RA‐specific highly expressed genes. In‐silico molecular docking was performed to short‐out potential phytomolecules (Neohesperidin dihydrochalcone (NHDC)) from 1000 datasets‐library against RA and validate using MD simulation running at 100 ns. In‐vitro anti‐inflammatory assays of NHDC inhibited egg‐albumin denaturation, IC50 of 47.739±0.51 μg/ml. The ex‐vivo MTT assay with NHDC rendered 67.209 % inhibition at 100 μM against fd‐FLS‐cells. NHDC downregulated pro‐inflammatory cytokine IL‐17 A production by 61.11 % and 50 % at 300 and 200 μM, respectively. Thus, this Studies recommend that NHDC may be highlighted as a novel multi‐target PADI4 and JAK3 inhibitor with better efficacy and minimal toxicity in RA warranted to In‐Vivo and clinical investigation. The current findings have uncovered remarkable genes and signalling pathways linked to RA, which could enhance our existing comprehension of the molecular mechanisms that drive its development and progression.
Cytotoxic and Antitumor Agents from Genus Rubia
Authors: Xu Geng , Liu Meiyu , Wang Zuobin , Chen(s) Yujuan
Published: August 2024

Genus Rubia is widely distributed in almost all regions of the world, with 36 species and 2 varieties in China. Rubia species, such as Rubia cordifolia, have been used in traditional Chinese medicine for the treatment of diseases since ancient times. In recent years, the study of anticancer effects in traditional Chinese medicine has become a popular topic, and some studies have shown that several Rubia species extracts have cytotoxic and antitumor effects, and some of them have been shown to contain specific antitumor agents. Therefore, this review focuses on the cytotoxic and antitumor effects of the chemical constituents contained in Genus Rubia. Summarized 71 types of chemical substances in 5 categories with the effect of cytotoxicity and antitumor, as well as their structures, targets and mechanisms of action.
Redox‐Activated Substrates for Enhancing Activatable Cyclopropene Bioorthogonal Reactions
Authors: Kao Wei‐Siang , Huang Wei , Zhang Yunlei , Wen Kangqiao , Meyer Andrea , Escorihuela Jorge , Laughlin Scott T.
Published: August 2024

Bioorthogonal chemistry has become a mainstay in chemical biology and is making inroads in the clinic with recent advances in protein targeting and drug release. Since the field's beginning, a major focus has been on designing bioorthogonal reagents with good selectivity, reactivity, and stability in complex biological environments. More recently, chemists have imbued reagents with new functionalities like click‐and‐release or light/enzyme‐controllable reactivity. We have previously developed a controllable cyclopropene‐based bioorthogonal ligation, which has excellent stability in physiological conditions and can be triggered to react with tetrazines by exposure to enzymes, biologically significant small molecules, or light spanning the visual spectrum. Here, to improve reactivity and gain a better understanding of this system, we screened diene reaction partners for the cyclopropene. We found that a cyclopropene–quinone pair is 26 times faster than reactions with 1,2,4,5‐tetrazines. Additionally, we showed that the reaction of the cyclopropene–quinone pair can be activated by two orthogonal mechanisms: caging group removal on the cyclopropene and oxidation/reduction of the quinone. Finally, we demonstrated that this caged cyclopropene–quinone can be used as an imaging tool to label the membranes of fixed, cultured cells.
Phosphorylation of the HMGN1 Nucleosome Binding Domain Decreases Helicity and Interactions with the Acidic Patch
Authors: Iebed Dina , Gökler Tobias , van Ingen Hugo , Conibear Anne C.
Published: August 2024

Intrinsically disordered proteins are abundant in the nucleus and are prime sites for posttranslational modifications that modulate transcriptional regulation. Lacking a defined three‐dimensional structure, intrinsically disordered proteins populate an ensemble of several conformational states, which are dynamic and often altered by posttranslational modifications, or by binding to interaction partners. Although there is growing appreciation for the role that intrinsically disordered regions have in regulating protein‐protein interactions, we still have a poor understanding of how to determine conformational population shifts, their causes under various conditions, and how to represent and model conformational ensembles. Here, we study the effects of serine phosphorylation in the nucleosome‐binding domain of an intrinsically disordered protein – HMGN1 – using NMR spectroscopy, circular dichroism and modelling of protein complexes. We show that phosphorylation induces local conformational changes in the peptide backbone and decreases the helical propensity of the nucleosome binding domain. Modelling studies using AlphaFold3 suggest that phosphorylation disrupts the interface between HMGN1 and the nucleosome acidic patch, but that the models over‐predict helicity in comparison to experimental data. These studies help us to build a picture of how posttranslational modifications might shift the conformational populations of disordered regions, alter access to histones, and regulate chromatin compaction.
Chemoenzymatic Synthesis of Plant‐Derived Kavalactone Natural Products by Dynamic Resolution Using a Biosynthetic O‐Methyltransferase Tailoring Enzyme
Authors: Rydzek Simon , Guth Florian , Friedrich Steffen , Noske Jakob , Höcker Birte , Hahn Frank
Published: August 2024

Biosynthetic enzymes have enormous potential for the chemoenzymatic synthesis of natural products and other bioactive compounds. Methyltransferases are promising tools for the selective enzymatic modification of complex structures. This paper describes the production, purification and biochemical characterization of the O‐methyltransferase JerF, which catalyzes unique 4‐methoxy‐5,6‐dihydropyranone formation in jerangolid A biosynthesis. Isolation problems had hitherto prevented detailed studies on JerF and were solved by the fusion to maltose‐binding protein. The differentiation of JerF between styryl‐substituted dihydropyrandion enantiomers was investigated. In combination with a spontaneous racemization occurring with this type of substrates, a new enzymatic dynamic kinetic resolution was observed, which was used for the enantioselective chemoenzymatic synthesis of kavalactone natural products and new derivatives. In combination with an HMT‐based SAM regeneration system, (+)‐kavain, (+)‐11,12‐dimethoxykavain and (+)‐12‐fluorokavain were prepared in 3–4 steps on a 100 μmol scale with overall yields of 37–57 % and ees of 70–86 %. A mutational study based on an AlphaFold 2 model provided indications for active site residues with an influence on the performance of the enzyme that could be targeted for engineering in the future. This example illustrates how the exceptional enzymatic activities and specificities of biosynthetic enzymes can be exploited for the development of new synthesis approaches.
Tandem Hydrocyanation and Nitrile/Amide Cyclization of Propiolamides: A Rapid Access to 5‐Iminopyrrolones
Authors: Hu Jiawen , Wang Suliang , Wang Lingna , Long Jinguo , Fang Xianjie
Published: August 2024

A Pd‐catalyzed synthesis of 5‐iminopyrrolones from propiolamides was developed, which featured wide substrate scope and good yields. This efficient conversion involved a tandem hydrocyanation, E to Z isomerization of alkenes, and nitrile/amide cyclization. Control experiments show the intermediacy of β‐cyanation products, and the Z‐isomers was efficiently converted to the target products by Pd/L2 catalysis only after the cyanation reagent was completely consumed.
Chemometric Classification of Motor Oils Using 1H NMR Spectroscopy With Simultaneous Phase and Baseline Optimization
Authors: Olejniczak A. , Łukaszewicz J. P.
Published: August 2024

Here, we demonstrate mid‐field 1H NMR spectroscopy combined with chemometrics to be powerful in the classification and authentication of motor oils (MOs). The 1H NMR data were processed with a new algorithm for simultaneous phase and baseline correction, which, for crowded spectra such as those of the refinery products, allowed for more accurate estimation of phase parameters than other literature approaches tested. A principal component analysis (PCA) model based on the unbinned CH3 fingerprint region (0.6–1.0 ppm) enabled the differentiation of hydrocracked and poly‐α‐olefin‐based MOs and was effective in resolving mixtures of these base stocks with conventional base oils. PCA analysis of the 1.0‐ to 1.14‐ppm region enabled the detection of poly (isobutylene) additive and was useful for differentiating between single‐grade and multigrade MOs. Non‐equidistantly binned 1H NMR data were used to detect the addition of esters and to establish discriminant models for classifying MOs by viscosity grade and by major categories of synthetic, semisynthetic, and mineral oils. The performances of four classifiers (linear discriminant analysis [LDA], quadratic discriminant analysis [QDA], naïve Bayes classifier [NBC], and support vector machine [SVM]) with and without PCA dimensionality reduction were compared. In both tasks, SVM showed the best efficiency, with average error rates of ~2.3% and 8.15% for predicting major MO categories and viscosity grades, respectively. The potential to merge spectra collected from different NMR instruments is discussed for models based on spectral binning. It is also shown that small errors in phase parameters are not detrimental to binning‐based PCA models.
Synthetic Investigation toward Acyl Group‐Free Escin Derivatives
Authors: Lv Xin , Liao Jin‐Xi , Li Zhen‐Qiang , Xiong Zhi‐Sheng , Yin Qi‐Shuang , Liu Hui , Tu Yuan‐Hong , Sun Jian‐Song
Published: August 2024

Comprehensive Summary

With protoescigenin as starting material and through orchestrated application of Yu and Schmidt glycosylation protocols, the synthesis of acyl group‐free escin derivatives was achieved for the first time. As the undesired non‐specific toxicity, originating from the existence of acyl groups on aglycone, prohibits the wide application of escins, the established strategies toward non‐acylated protoescigenin‐type saponins would dramatically ease the access to escin derivatives dispense of acyl groups, thereby speeding up the pace of pharmaceutical use of these valuable compounds.
Chromophoric Keratin‐Cysteine Particle Synthesis Using Factorial Design of Experiment
Authors: Damatov Yaniv , Nowogrodski Chen , Shoseyov Oded
Published: August 2024

The quest for novel chromophoric materials with tunable properties to match the natural spectrum of skin tones lacks comprehensive solutions, particularly in harnessing natural proteins for pigment synthesis. This research delved into the synthesis of sub‐micron Keratin‐Cysteine particles inspired by natural pigment production pathways. Adjustment of the initial conditions of the water‐based reaction between keratin, tyrosinase and cysteine, yielded Keratin‐Cysteine particles with colors tunable within the light to intermediate skin tone range. A systematic investigation of the reaction conditions through factorial design of experiment (DOE) identified the sequence of addition of tyrosinase and cysteine as the key determinant of color tone. Ultraviolet‐visible (UV‐Vis) spectroscopy, attenuated total reflectance Fourier transform infrared (ATR‐FTIR) spectroscopy and color analysis were performed to elucidate the reaction mechanism. This research presents a promising approach to chromophore synthesis for cosmetic and biomedical applications.
Experimental Elucidation of a Cubane Water Cluster in the Hydrophobic Cavity of UiO‐66
Authors: Sonobe Kazutaka , Tominaka Satoshi , Machida Akihiko
Published: August 2024

Nanoscale water plays a pivotal role in determining the properties and functionalities of materials, and the precise control of its quantity and atomic‐scale ordered structure is a focal point in nanotechnology and chemistry. Several studies have theoretically discussed the nano‐ordered ice within one‐ or two‐dimensional space and without confinement through hydrogen bonds. In particular, the water cluster has been predicted to play a significant role in biomolecules or functional nanomaterials; however, there has been little experimental evidence for their presence in hydrophobic cavities. In this study, the cubane water octamer – the most stable isomer among small water clusters – was detected within the hydrophobic cavities of UiO‐66 metal–organic frameworks, revealing the presence of the smallest ice in their hydrophobic cavity, in the absence of hydrogen bonding. This observation contrasts earlier examples of water clusters confined within nanocavities through hydrogen bonds and provides experimental evidence for water‐cluster capturing within hydrophobic cavities. Consequently, our renewed understanding of hydrophilicity and hydrophobicity warrants a design re‐evaluation of materials for chemical applications, including fuel cells, water harvesting, catalysts, and batteries.
Organic and Non‐Precious Metal Photosensitizers for Photocatalytic CO2 Reduction
Authors: Xue Yilin , Chao Duobin
Published: August 2024

Carbon dioxide (CO2) is the primary greenhouse gas responsible for global warming, posing a significant challenge to the global environment. To reduce CO2 emission and support the sustainable development, efficient conversion of CO2 into chemical feedstocks has gained a lot of attention. One promising strategy inspired by natural photosynthesis is solar‐driven CO2 reduction, which uses appropriate photocatalytic systems to generate CO, HCOOH, CH4, CH3OH, etc. However, developing low‐cost, environmentally friendly, and non‐toxic materials for the catalytic conversion of CO2 remains a significant challenge. Light‐absorbing photosensitizers play an important role in photocatalytic systems. Recently, non‐precious metal photosensitizers such as organic compounds and earth‐abundant metal complexes have been intensively studied for developing low‐cost photocatalytic systems. This review focuses on recent reports on organic and non‐precious metal photosensitizers for photocatalytic CO2 reduction.
A new modulation for three‐phase current source converter
Authors: Teng Yiyina , Guo Xiaoqiang , Wei Yupeng , He Meiling , Wang Baocheng
Published: August 2024

This brief proposes an improved pulse width modulation (PWM) scheme, which uses diode voltage clamping characteristics to achieve the direct control of three‐phase current source converter without any logical transformation. Compared with the traditional indirect carrier modulation scheme—mapping‐PWM, the proposed scheme can solve the disadvantages of low DC current utilization, high switching loss, and complex control process. The generation mechanism of IPWM is analyzed in this brief. Then, based on the generation mechanism, the output characteristics of the system under IPWM are analyzed and compared with the traditional modulation scheme. Finally, the experimental results verify the effectiveness the proposed modulation scheme.
Modeling and Optimizing the Drying Process of Electrode Manufacturing for Lithium‐Ion Batteries
Authors: Chen Yuxin , Tao Haolan , Li Bing , Li Baorong , Lian Cheng , Liu Honglai
Published: August 2024

Drying the electrode is a crucial process in the manufacture of lithium‐ion batteries, which significantly affects the mechanical performance and cycle life of electrodes. High drying rate increases the battery production but reduces the uniformity of the binder in the electrode, which causes the detaching of the electrode from the collector. Herein, a physical model that couples solvent evaporation and binder diffusion is established to study the uneven enrichment of binder during the drying process. The results indicate that the drying process at the high solvent partial pressure and in a temperature‐drop situation ensures sufficient time for the diffusion of binder, which breaks the trade‐off between drying efficiency and electrode quality. Based on a comprehensive correlation analysis between process parameters and drying performance, an empirical equation is established to predict binder distribution. This work could offer insights into the formation and evolution of binder enrichment in electrodes and potentially provide guidelines for optimizing the drying processes of electrode.
The link between executive skills and neural dynamics during encoding, inhibition, and retrieval of visual information in the elderly
Authors: Parviainen Tiina , Alexandrou Anna Maria , Lapinkero Hanna‐Maija , Sipilä Sarianna , Kujala Jan
Published: August 2024

During aging the inter‐individual variability in both the neural and behavioral functions is likely to be emphasized. Decreased competence particularly in working memory and general executive control compromises many aspects of the quality of life also within the nonclinical population. We aimed, first, to clarify the brain basis of visual working memory and inhibition during multi‐stage natural‐like task performance, and second, to identify associations between variation in task‐related neural activity and relevant cognitive skills, namely inhibition and general working memory capacity. We recorded, using magnetoencephalography (MEG), the neural modulations associated with encoding, maintenance, and retrieval, as well as interference suppression during a visual working memory task in older adults. We quantified the neural correlates of these cognitive processes through two complementary approaches: evoked responses and oscillatory activity. Neural activity during memory retrieval and interference suppression were correlated with behavioral measures of task switching and general executive functions. Our results show that general inhibitory control induced frontocentral neural modulation across a broad range of frequencies whereas domain‐specific inhibition was limited to right posterior areas. Our findings also suggest that modulations particularly in phase‐locked evoked neural activity can be reliably associated with explicit measures of cognitive skills, with better inhibitory control linked with an early neural effect of distractor inhibition during retrieval. In general, we show that exploiting the inherent inter‐individual variability in neural measures and behavioral markers of cognition in aging populations can help establish reliable links between specific brain functions and their behavioral manifestations.
Brain mechanisms discriminating enactive mental simulations of running and plogging
Authors: Philips Roxane , Baeken Chris , Billieux Joël , Harris James Madog , Maurage Pierre , Muela Ismael , Öz İrem Tuğçe , Pabst Arthur , Sescousse Guillaume , Vögele Claus , Brevers Damien
Published: August 2024

Enactive cognition emphasizes co‐constructive roles of humans and their environment in shaping cognitive processes. It is specifically engaged in the mental simulation of behaviors, enhancing the connection between perception and action. Here we investigated the core network of brain regions involved in enactive cognition as applied to mental simulations of physical exercise. We used a neuroimaging paradigm in which participants (N = 103) were required to project themselves running or plogging (running while picking‐up litter) along an image‐guided naturalistic trail. Using both univariate and multivariate brain imaging analyses, we find that a broad spectrum of brain activation discriminates between the mental simulation of plogging versus running. Critically, we show that self‐reported ratings of daily life running engagement and the quality of mental simulation (how well participants were able to imagine themselves running) modulate the brain reactivity to plogging versus running. Finally, we undertook functional connectivity analyses centered on the insular cortex, which is a key region in the dynamic interplay between neurocognitive processes. This analysis revealed increased positive and negative patterns of insular‐centered functional connectivity in the plogging condition (as compared to the running condition), thereby confirming the key role of the insular cortex in action simulation involving complex sets of mental mechanisms. Taken together, the present findings provide new insights into the brain networks involved in the enactive mental simulation of physical exercise.
Uncovering the hidden effects of repetitive subconcussive head impact exposure: A mega‐analytic approach characterizing seasonal brain microstructural changes in contact and collision sports athletes
Authors: Kwiatkowski Anna , Weidler Carmen , Habel Ute , Coverdale Nicole S. , Hirad Adnan A. , Manning Kathryn Y. , Rauscher Alexander , Bazarian Jeffrey J. , Cook Douglas J. , Li David K. B. , Mahon Bradford Z. , Menon Ravi S. , Taunton Jack , Reetz Kathrin , Romanzetti Sandro , Huppertz Charlotte
Published: August 2024

Repetitive subconcussive head impacts (RSHI) are believed to induce sub‐clinical brain injuries, potentially resulting in cumulative, long‐term brain alterations. This study explores patterns of longitudinal brain white matter changes across sports with RSHI‐exposure. A systematic literature search identified 22 datasets with longitudinal diffusion magnetic resonance imaging data. Four datasets were centrally pooled to perform uniform quality control and data preprocessing. A total of 131 non‐concussed active athletes (American football, rugby, ice hockey; mean age: 20.06 ± 2.06 years) with baseline and post‐season data were included. Nonparametric permutation inference (one‐sample t tests, one‐sided) was applied to analyze the difference maps of multiple diffusion parameters. The analyses revealed widespread lateralized patterns of sports‐season‐related increases and decreases in mean diffusivity (MD), radial diffusivity (RD), and axial diffusivity (AD) across spatially distinct white matter regions. Increases were shown across one MD‐cluster (3195 voxels; mean change: 2.34%), one AD‐cluster (5740 voxels; mean change: 1.75%), and three RD‐clusters (817 total voxels; mean change: 3.11 to 4.70%). Decreases were shown across two MD‐clusters (1637 total voxels; mean change: −1.43 to −1.48%), two RD‐clusters (1240 total voxels; mean change: −1.92 to −1.93%), and one AD‐cluster (724 voxels; mean change: −1.28%). The resulting pattern implies the presence of strain‐induced injuries in central and brainstem regions, with comparatively milder physical exercise‐induced effects across frontal and superior regions of the left hemisphere, which need further investigation. This article highlights key considerations that need to be addressed in future work to enhance our understanding of the nature of observed white matter changes, improve the comparability of findings across studies, and promote data pooling initiatives to allow more detailed investigations (e.g., exploring sex‐ and sport‐specific effects).
Precision fMRI and cluster‐failure in the individual brain
Authors: Ceja Igor Fabian Tellez , Gladytz Thomas , Starke Ludger , Tabelow Karsten , Niendorf Thoralf , Reimann Henning Matthias
Published: August 2024

Advances in neuroimaging acquisition protocols and denoising techniques, along with increasing magnetic field strengths, have dramatically improved the temporal signal‐to‐noise ratio (tSNR) in functional magnetic resonance imaging (fMRI). This permits spatial resolution with submillimeter voxel sizes and ultrahigh temporal resolution and opens a route toward performing precision fMRI in the brains of individuals. Yet ultrahigh spatial and temporal resolution comes at a cost: it reduces tSNR and, therefore, the sensitivity to the blood oxygen level‐dependent (BOLD) effect and other functional contrasts across the brain. Here we investigate the potential of various smoothing filters to improve BOLD sensitivity while preserving the spatial accuracy of activated clusters in single‐subject analysis. We introduce adaptive‐weight smoothing with optimized metrics (AWSOM), which addresses this challenge extremely well. AWSOM employs a local inference approach that is as sensitive as cluster‐corrected inference of data smoothed with large Gaussian kernels, but it preserves spatial details across multiple tSNR levels. This is essential for examining whole‐brain fMRI data because tSNR varies across the entire brain, depending on the distance of a brain region from the receiver coil, the type of setup, acquisition protocol, preprocessing, and resolution. We found that cluster correction in single subjects results in inflated family‐wise error and false positive rates. AWSOM effectively suppresses false positives while remaining sensitive even to small clusters of activated voxels. Furthermore, it preserves signal integrity, that is, the relative activation strength of significant voxels, making it a valuable asset for a wide range of fMRI applications. Here we demonstrate these features and make AWSOM freely available to the research community for download.
Measuring and reducing the carbon footprint of fMRI preprocessing in fMRIPrep
Authors: Souter Nicholas E. , Bhagwat Nikhil , Racey Chris , Wilkinson Reese , Duncan Niall W. , Samuel Gabrielle , Lannelongue Loïc , Selvan Raghavendra , Rae Charlotte L.
Published: August 2024

Computationally expensive data processing in neuroimaging research places demands on energy consumption—and the resulting carbon emissions contribute to the climate crisis. We measured the carbon footprint of the functional magnetic resonance imaging (fMRI) preprocessing tool fMRIPrep, testing the effect of varying parameters on estimated carbon emissions and preprocessing performance. Performance was quantified using (a) statistical individual‐level task activation in regions of interest and (b) mean smoothness of preprocessed data. Eight variants of fMRIPrep were run with 257 participants who had completed an fMRI stop signal task (the same data also used in the original validation of fMRIPrep). Some variants led to substantial reductions in carbon emissions without sacrificing data quality: for instance, disabling FreeSurfer surface reconstruction reduced carbon emissions by 48%. We provide six recommendations for minimising emissions without compromising performance. By varying parameters and computational resources, neuroimagers can substantially reduce the carbon footprint of their preprocessing. This is one aspect of our research carbon footprint over which neuroimagers have control and agency to act upon.
Amoreuxia wrightii A. Gray (Cochlospermaceae) neu für Cuba
Authors: Günther Karl‐Friedrich
Published: August 2024

Im Juni 1982 wurde in La Chivera bei Imías (Prov. Guantánamo) nach stärkeren Regenfällen ein Vertreter der Gattung Amoreuxia Moç. et Sessé ex DC. (Fam. Cochlospermaceae) gefunden. Dies ist der erste Fund einer Amoreuxia in Cuba und auf den Antillen überhaupt. Wenn man die Unsicherheiten auβer acht läβt, die z. Zt. bei der morphologischen Umgrenzung der wenigen Arten der Gattung herrschen, ist dieser Neufund zu A. urightii A. Gray zu zählen. Er fügt sich gut in das Areal dieser Art ein.

A. wrightii wächst in Cuba auf relativ tiefgründigen Böden über Kalkstein auf der untersten Küstenterrasse in sekundär gelichtetem Trockengebüsch und an Wegrändern.
Chromosome structure rearrangements and genome relationship in Maydeae
Authors: Sharma A. K. , Sarma J. S. P.
Published: August 2024

This review attempts to lay stress on topics of current importance in addition to providing a comprehensive idea of pure and evolutionary aspects of cytogenetics of Maydeae.

The classical concepts have been confirmed by experimentation in areas such as cytogenetics of heterochromatin. New insight has been obtained through analysis of genetic fine structure, regardingwxand other loci. Several gross duplications have been well analyzed within the genome of maize. Banding studies have provided an understanding of the structure of chromosomes at mitotic as well as meiotic stages. Mapping of loci for the specific genetic phenomena, utilizing B‐chromosome, is in progress using appropriate B‐A translocation complements. Monosomic studies have been much facilitated with the discovery of r‐xl deficiency. Ultrastructural patterns have revealed the mode of initiation and progress of synapsis. Studies involving hemizygosity have given a new dimension to cytogenetic mapping. Advanced analytical techniques have been employed to study the activity of several enzyme loci. Controlling element which itself should form a review by itself has not been dealt with in the present review.

Recent discovery of diploperennial teosinte and intergenomic mapping studies within the American Maydeae, coupled with earlier studies on crossability relationships and pairing in hybrids, are contrary to the tripartite hypothesis Maize as a possible mutant derivative of teosinte is strongly advocated, A new theory — Cataclysmic sexual transmutation theory — has been advanced to explain the origin of maize ear from teosinte tassel.
Changes in peer belonging, school climate, and the emotional health of immigrant, refugee, and non‐immigrant early adolescents
Authors: Thomson Kimberly , Magee Carly , Gagné Petteni Monique , Oberle Eva , Georgiades Katholiki , Schonert‐Reichl Kimberly , Janus Magdalena , Guhn Martin , Gadermann Anne
Published: August 2024

Introduction

Early adolescents who are new to Canada experience dual challenges of navigating developmental changes and multiple cultures. This study examined how changes in early adolescents’ emotional health from ages 9 to 12 differed by immigration background, and to what extent peer belonging and supportive school climate protected or promoted their emotional health.

Methods

This study drew upon linked self‐report and administrative data. Across 10 school districts in British Columbia, Canada, N = 4479 non‐immigrant, immigrant, and refugee adolescents reported on their peer belonging, school climate, and emotional health (life satisfaction, optimism, self‐esteem, sadness, worries) in Grades 4 and 7, using the Middle Years Development Instrument. Immigration background including immigration class (economic, family, refugee) and generation status (first, second) were obtained from linked Immigration, Refugees, and Citizenship Canada data. Multi‐level modeling assessed the effect of time (grade level), immigration group, and changes in peer belonging and school climate on changes in self‐reported emotional health. Analyses were adjusted for gender, English first language, and low family income.

Results

Immigrant and refugee adolescents reported worse emotional health in Grade 4 compared to non‐immigrants. Non‐immigrant and immigrant adolescents reported declines in emotional health from Grades 4 to 7. In contrast, first‐generation refugee adolescents reported significant improvements in life satisfaction, and first‐ and second‐generation refugees reported improvements in worries over this period. Perceived improvements in peer belonging and school climate were associated with positive changes in emotional health for all adolescents.

Conclusions

Changes in adolescents’ emotional health from Grades 4 to 7 differed between immigrants, refugees, and non‐immigrants. Immigrants and refugees who enter adolescence with lower emotional health than their non‐immigrant peers may particularly benefit from culturally responsive school and community‐based interventions.
Body composition parameters in initial CT imaging of mechanically ventilated trauma patients: Single‐centre observational study
Authors: Meyer Hans‐Jonas , Dermendzhiev Tihomir , Hetz Michael , Osterhoff Georg , Kleber Christian , Denecke Timm , Henkelmann Jeanette , Werdehausen Robert , Hempel Gunther , Struck Manuel F.
Published: August 2024

Background

Body composition parameters provide relevant prognostic significance in critical care cohorts and cancer populations. Published results regarding polytrauma patients are inconclusive to date. The goal of this study was to analyse the role of body composition parameters in severely injured trauma patients.

Methods

All consecutive patients requiring emergency tracheal intubation and mechanical ventilation before initial computed tomography (CT) at a level‐1 trauma centre over a 12‐year period (2008–2019) were reanalysed. The analysis included CT‐derived body composition parameters based upon whole‐body trauma CT as prognostic variables for 30‐day mortality, intensive care unit length of stay (ICU LOS) and mechanical ventilation duration.

Results

Four hundred seventy‐two patients (75% male) with a median age of 49 years, median injury severity score of 26 and 30‐day mortality rate of 22% (104 patients) met the inclusion criteria and were analysed. Regarding body composition parameters, 231 patients (49%) had visceral obesity, 75 patients had sarcopenia (16%) and 35 patients had sarcopenic obesity (7.4%). After adjustment for statistically significant univariable predictors age, body mass index, sarcopenic obesity, visceral obesity, American Society of Anesthesiologists classification ≥3, injury severity score and Glasgow Coma Scale ≤ 8 points, the Cox proportional hazard model identified sarcopenia as significant prognostic factor of 30‐day mortality (hazard ratio 2.84; 95% confidence interval 1.38–5.85; P = 0.004), which was confirmed in Kaplan–Meier survival analysis (log‐rank P = 0.006). In a subanalysis of 363 survivors, linear multivariable regression analysis revealed no significant associations of body composition parameters with ICU LOS and duration of mechanical ventilation.

Conclusions

In a multivariable analysis of mechanically ventilated trauma patients, CT‐defined sarcopenia was significantly associated with 30‐day mortality whereas no associations of body composition parameters with ICU LOS and duration of mechanical ventilation were observed.