bluuebunny/crossref_metadata_2025 huggingface dataset:
Transmembrane Inspired Mechano‐Responsive Elastomers with Synergized Traction‐Assisted Healing and Dual‐Channel Sensing
Authors: Chen Chao , Yu Zhe , Tian Ying , Li Fenglong , Kong Zhengyang , Ran Xu , Wu Xing , Lee Kyung Jin , Kim Do Hwan , Lee Jung‐Yong , Zhu Jin , Ying Wu Bin
Published: June 2024

In the burgeoning field of bioinspired materials, the principles governing biological perception and self‐healing drive advancements in biomimetic mechano‐responsive materials, seamlessly integrating ionic signal sensing with self‐healing. While current research often emphasizes individual functionalities, the concurrent enhancement of both self‐healing and sensitivity in iontronic skins is often overlooked. Drawing inspiration from transmembrane proteins like TSP‐15, Piezo 1 and Piezo 2, renowned for recruiting repair factors, multifunctional molecular‐ionic regulatory sites are constructed within a polyurethane/ionic liquid composite system, leading to the development of a mechano‐responsive elastomer (i‐DAPU) that exhibited both rapid self‐healing (72 µm min−1) and impressive sensitivity (7012.05 kPa−1). Leveraging the dual functionalities of i‐DAPU in tandem with deep learning algorithms, a sophisticated system is devised for intelligently analyzing neural conditions in comatose patients based on muscle strength, achieving a remarkable 99.2% accuracy rate, holding significant promise for healthcare applications.
Different Nucleation Mechanisms during Atomic Layer Deposition of HfS2 on Cobalt Oxide Surfaces
Authors: Fickenscher Georg , Sidorenko Nikolai , Mikulinskaya Kira , Libuda Jörg
Published: June 2024

The atomic layer deposition (ALD) of HfS2 is investigated on atomically defined CoO(100) and CoO(111) surfaces under ultrahigh‐vacuum (UHV) conditions. The ALD process is performed by sequential dosing of the precursors tetrakis(dimethylamido)hafnium (TDMAH) and deuterium sulfide (D2S) separated by purging periods. The growth and nucleation reactions are monitored by in situ infrared reflection absorption spectroscopy (IRAS). HfS2 films nucleate and grow on both cobalt oxide surfaces, despite the fact that CoO(100) lacks acidic protons and CoO(111) exposes only very few OH groups at defects. On these OH‐free or OH‐lean surfaces, the nucleation step involves a Lewis acid‐base reaction instead. The stoichiometry of the ─Hf(NMe2)x nuclei changes during the first ALD half cycle. On CoO(100), the split‐off ligands bind as ─NMe2 to surface cobalt ions. The nucleation on CoO(111) is more complex and the split‐off ligands undergo dehydrogenation to form various surface species with C═N double and C≡N triple bonds and surface OH. These findings reveal a new nucleation mechanism for ALD in the absence of acidic protons and show that other factors such as Lewis acidity, surface structure, and surface reactivity must also be considered in the nucleation event.
Modified Coupled‐Mode Theory for the Absorption in Plasmonic Lattices
Authors: Tse Joshua T. Y. , Murai Shunsuke , Tanaka Katsuhisa
Published: June 2024

Surface lattice resonance supported on plasmonic nanoparticle arrays enhances light‐matter interactions for applications such as photoluminescence enhancement. The photoluminescence process is enhanced through confining light beyond the diffraction limit and inducing stronger light–matter interaction. In this work, the absorption mechanisms of plasmonic nanoparticle arrays embedded with photoluminescent absorbers are analyzed. A modified coupled‐mode theory that describes the optical behavior of the surface lattice resonance was developed and verified by numerical simulations. Based on the analytical model, different components of the absorption contributed by the nanoparticles and the absorbers as well as the resonant properties of each of the components are identified. The origin of difference in resonant behavior with different materials is also discovered by exploring the nearfield characteristics of surface lattice resonance composed with a variety of materials.
Electromagnetic Cellularized Patch with Wirelessly Electrical Stimulation for Promoting Neuronal Differentiation and Spinal Cord Injury Repair
Authors: Wang Liang , Zhao Hongbo , Han Min , Yang Hongru , Lei Ming , Wang Wenhan , Li Keyi , Li Yiwei , Sang Yuanhua , Xin Tao , Liu Hong , Qiu Jichuan
Published: June 2024

Although stem cell therapy holds promise for the treatment of spinal cord injury (SCI), its practical applications are limited by the low degree of neural differentiation. Electrical stimulation is one of the most effective ways to promote the differentiation of stem cells into neurons, but conventional wired electrical stimulation may cause secondary injuries, inflammation, pain, and infection. Here, based on the high conductivity of graphite and the electromagnetic induction effect, graphite nanosheets with neural stem cells (NSCs) are proposed as an electromagnetic cellularized patch to generate in situ wirelessly pulsed electric signals under a rotating magnetic field for regulating neuronal differentiation of NSCs to treat SCI. The strength and frequency of the induced voltage can be controlled by adjusting the rotation speed of the magnetic field. The generated pulsed electrical signals promote the differentiation of NSCs into functional mature neurons and increase the proportion of neurons from 12.5% to 33.7%. When implanted in the subarachnoid region of the injured spinal cord, the electromagnetic cellularized patch improves the behavioral performance of the hind limbs and the repair of spinal cord tissue in SCI mice. This work opens a new avenue for remote treatment of SCI and other nervous system diseases.
A Functional InDel in the WRKY10 Promoter Controls the Degree of Flesh Red Pigmentation in Apple
Authors: Wang Nan , Liu Wenjun , Mei Zhuoxin , Zhang Shuhui , Zou Qi , Yu Lei , Jiang Shenghui , Fang Hongcheng , Zhang Zongying , Chen Zijing , Wu Shujing , Cheng Lailiang , Chen Xuesen
Published: June 2024

MYB transcription factors have been linked to anthocyanin synthesis and various color phenotypes in plants. In apple, MYB10 confers a red‐flesh phenotype due to a minisatellite insertion in its R6 promoter, but R6:MYB10 genotypes exhibit various degrees of red pigmentation in the flesh, suggesting the involvement of other genetic factors. Here, it is shown that MdWRKY10, a transcription factor identified via DNA pull‐down trapping, binds to the promoter of MdMYB10 and activates its transcription. MdWRKY10 specifically interacts with the WDR protein MdTTG1 to join the apple MYB‐bHLH‐WDR (MBW) complex, which significantly enhances its transcriptional activation activity. A 163‐bp InDel detected in the promoter region of the alleles of MdWRKY10 in a hybrid population of identical heterozygous genotypes regarding R6 by structural variation analysis, contains a typical W‐box element that MdWRKY10 binds to for transactivation. This leads to increased transcript levels of MdWRKY10 and MdMYB10 and enhanced anthocyanin synthesis in the flesh, largely accounting for the various degrees of flesh red pigmentation in the R6 background. These findings reveal a novel regulatory role of the WRKY‐containing protein complex in the formation of red flesh apple phenotypes and provide broader insights into the molecular mechanism governing anthocyanin synthesis in plants.
Virus‐Induced Histone Lactylation Promotes Virus Infection in Crustacean
Authors: Zhang Yu , Zhang Xiaobo
Published: June 2024

As “non‐cellular organisms”, viruses need to infect living cells to survive themselves. The virus infection must alter host's metabolisms. However, the influence of the metabolites from the altered metabolisms of virus‐infected host cells on virus‐host interactions remains largely unclear. To address this issue, shrimp, a representative species of crustaceans, is challenged with white spot syndrome virus (WSSV) in this study. The in vivo results presented that the WSSV infection enhanced shrimp glycolysis, leading to the accumulation of lactate. The lactate accumulation in turn promoted the site‐specific histone lactylation (H3K18la and H4K12la) in a p300/HDAC1/HDAC3‐dependent manner. H3K18la and H4K12la are enriched in the promoters of 75 target genes, of which the H3K18la and H4K12la modification upregulated the expression of ribosomal protein S6 kinases 2 (S6K2) in the virus‐infected hosts to promote the virus infection. Further data revealed that the virus‐encoded miR‐N20 targeted hypoxia inducible factor‐1α (HIF‐1α) to inhibit the host glycolysis, leading to the suppression of H3K18la and H4K12la. Therefore, the findings contributed novel insights into the effects and the underlying mechanism of the virus‐induced histone lactylation on the virus‐host interactions, providing new targets for the control of virus infection.
Gene Electrotransfer via Conductivity‐Clamped Electric Field Focusing Pivots Sensori‐Motor DNA Therapeutics: “A Spoonful of Sugar Helps the Medicine Go Down”
Authors: Pinyon Jeremy L. , von Jonquieres Georg , Crawford Edward N. , Abed Amr Al , Power John M. , Klugmann Matthias , Browne Cherylea J. , Housley David M. , Wise Andrew K. , Fallon James B. , Shepherd Robert K. , Lin John Y. , McMahon Catherine , McAlpine David , Birman Catherine S. , Lai Waikong , Enke Ya Lang , Carter Paul M. , Patrick James F. , Gay Robert D. , Marie Corinne , Scherman Daniel , Lovell Nigel H. , Housley Gary D.
Published: June 2024

Viral vectors and lipofection‐based gene therapies have dispersion‐dependent transduction/transfection profiles that thwart precise targeting. The study describes the development of focused close‐field gene electrotransfer (GET) technology, refining spatial control of gene expression. Integration of fluidics for precise delivery of “naked” plasmid deoxyribonucleic acid (DNA) in sucrose carrier within the focused electric field enables negative biasing of near‐field conductivity (“conductivity‐clamping”–CC), increasing the efficiency of plasma membrane molecular translocation. This enables titratable gene delivery with unprecedently low charge transfer. The clinic‐ready bionics‐derived CC‐GET device achieved neurotrophin‐encoding miniplasmid DNA delivery to the cochlea to promote auditory nerve regeneration; validated in deafened guinea pig and cat models, leading to improved central auditory tuning with bionics‐based hearing. The performance of CC‐GET is evaluated in the brain, an organ problematic for pulsed electric field‐based plasmid DNA delivery, due to high required currents causing Joule‐heating and damaging electroporation. Here CC‐GET enables safe precision targeting of gene expression. In the guinea pig, reporter expression is enabled in physiologically critical brainstem regions, and in the striatum (globus pallidus region) delivery of a red‐shifted channelrhodopsin and a genetically‐encoded Ca2+ sensor, achieved photoactivated neuromodulation relevant to the treatment of Parkinson's Disease and other focal brain disorders.
Comprehensive Study of Artificial Light‐Harvesting Systems with a Multi‐Step Sequential Energy Transfer Mechanism
Authors: Wu Yong , Wang Yuqian , Yu Xu , Song Qiao
Published: June 2024

Artificial light‐harvesting systems (LHSs) with a multi‐step sequential energy transfer mechanism significantly enhance light energy utilization. Nonetheless, most of these systems exhibit an overall energy transfer efficiency below 80%. Moreover, due to challenges in molecularly aligning multiple donor/acceptor chromophores, systems featuring ≥3‐step sequential energy transfer are rarely reported. Here, a series of artificial LHSs is introduced featuring up to 4‐step energy transfer mechanism, constructed using a cyclic peptide‐based supramolecular scaffold. These LHSs showed remarkably high energy transfer efficiencies (≥90%) and satisfactory fluorescence quantum yields (ranging from 17.6% to 58.4%). Furthermore, the structural robustness of the supramolecular scaffold enables a comprehensive study of these systems, elucidating the associated energy transfer pathways, and identifying additional energy transfer processes beyond the targeted sequential energy transfer. Overall, this comprehensive investigation not only enhances the understanding of these LHSs, but also underscores the versatility of cyclic peptide‐based supramolecular scaffolds in advancing energy harvesting technologies.
Aligned Permanent Magnet Made in Seconds–An In Situ Diffraction Study
Authors: Laursen Amalie P. , Frandsen Jens P. , Shyam Priyank , Mørch Mathias I. , Gjørup Frederik H. , Vijayan Harikrishnan , Jørgensen Mads R. V. , Christensen Mogens
Published: June 2024

The synthesis of a strontium hexaferrite magnet is studied using in situ synchrotron powder X‐ray diffraction (PXRD) with a 16‐ms time resolution. The precursor material is cold compacted shape‐controlled goethite and strontium carbonate. The time evolution of the phases is modeled with sequential Rietveld refinements revealing that strontium hexaferrite forms within seconds at ≈1173 K. Texture analysis is performed on selected PXRD frames throughout the experiment, and the preferred orientation introduced by cold‐pressing goethite prevails through the iron oxide phase transitions (goethite → hematite → strontium hexaferrite). Electron backscatter diffraction (EBSD) data on the final pellet confirms the preferred orientation observed with PXRD. The resulting magnet has respectable magnetic properties, considering the simplicity of the preparation method, with an energy product (BHmax) of 18.6(8) kJ m−3.
Remote and unsupervised digital memory assessments can reliably detect cognitive impairment in Alzheimer's disease
Authors: Berron David , Olsson Emil , Andersson Felix , Janelidze Shorena , Tideman Pontus , Düzel Emrah , Palmqvist Sebastian , Stomrud Erik , Hansson Oskar
Published: June 2024

INTRODUCTION

Remote unsupervised cognitive assessments have the potential to complement and facilitate cognitive assessment in clinical and research settings.

METHODS

Here, we evaluate the usability, validity, and reliability of unsupervised remote memory assessments via mobile devices in individuals without dementia from the Swedish BioFINDER‐2 study and explore their prognostic utility regarding future cognitive decline.

RESULTS

Usability was rated positively; remote memory assessments showed good construct validity with traditional neuropsychological assessments and were significantly associated with tau‐positron emission tomography and downstream magnetic resonance imaging measures. Memory performance at baseline was associated with future cognitive decline and prediction of future cognitive decline was further improved by combining remote digital memory assessments with plasma p‐tau217. Finally, retest reliability was moderate for a single assessment and good for an aggregate of two sessions.

DISCUSSION

Our results demonstrate that unsupervised digital memory assessments might be used for diagnosis and prognosis in Alzheimer's disease, potentially in combination with plasma biomarkers.

Highlights

Remote and unsupervised digital memory assessments are feasible in older adults and individuals in early stages of Alzheimer's disease.

Digital memory assessments are associated with neuropsychological in‐clinic assessments, tau‐positron emission tomography and magnetic resonance imaging measures.

Combination of digital memory assessments with plasma p‐tau217 holds promise for prognosis of future cognitive decline.

Future validation in further independent, larger, and more diverse cohorts is needed to inform clinical implementation.
Enhancement of Overall Kinetics by Se−Br Chemistry in Rechargeable Li−S Batteries
Authors: Lv Xucheng , Qian Zikai , Zhang Xiaobo , Zhang Xie , Zheng Hongfei , Liu Mingjie , Liu Yingchun , Lu Jun
Published: June 2024

The sluggish kinetics of lithium‐sulfur (Li−S) batteries severely impedes the application in extreme conditions. Bridging the sulfur cathode and lithium anode, the electrolyte plays a crucial role in regulating kinetic behaviors of Li−S batteries. Herein, we report a multifunctional electrolyte additive of phenyl selenium bromide (PhSeBr) to simultaneously exert positive influences on both electrodes and the electrolyte. For the cathode, an ideal conversion routine with lower energy barrier can be attained by the redox mediator and homogeneous catalyst derived from PhSeBr, thus improving the reaction kinetics and utilization of sulfur. Meanwhile, the presence of Se−Br bond helps to reconstruct a loose solvation sheath of lithium ions and a robust bilayer SEI with excellent ionic conductivity, which contributes to reducing the de‐solvation energy and simultaneously enhancing the interfacial kinetics. The Li−S battery with PhSeBr displays superior long cycling stability with a reversible capacity of 1164.7 mAh g−1 after 300 cycles at 0.5 C rate. And the pouch cell exhibits a maximum capacity of 845.3 mAh and a capacity retention of 94.8 % after 50 cycles. Excellent electrochemical properties are also obtained in extreme conditions of high sulfur loadings and low temperature of −20 °C. This work demonstrates the versatility and practicability of the special additive, striking out an efficient but simple method to design advanced Li−S batteries.
Tailoring Oxygen‐Depleted and Unitary Ti3C2Tx Surface Terminals by Molten Salt Electrochemical Etching Enables Dendrite‐Free Stable Zn Metal Anode
Authors: Tian Feng , Wang Fei , Nie Wei , Zhang Xueqiang , Xia Xuewen , Chang Linhui , Pang Zhongya , Yu Xing , Li Guangshi , Hu Shen , Xu Qian , Hsu Hsien‐Yi , Zhao Yufeng , Ji Li , Lu Xionggang , Zou Xingli
Published: June 2024

Two‐dimensional Ti3C2Tx MXene materials, with metal‐like conductivities and versatile terminals, have been considered to be promising surface modification materials for Zn‐metal‐based aqueous batteries (ZABs). However, the oxygen‐rich and hybridized terminations caused by conventional methods limit their advantages in inhibiting zinc dendrite growth and reducing corrosion‐related side reactions. Herein, −O‐depleted, −Cl‐terminated Ti3C2Tx was precisely fabricated by the molten salt electrochemical etching of Ti3AlC2, and controlled in situ terminal replacement from −Cl to unitary −S or −Se was achieved. The as‐prepared −O‐depleted and unitary‐terminal Ti3C2Tx as Zn anode coatings provided excellent hydrophobicity and enriched zinc‐ionophilic sites, facilitating Zn2+ horizontal transport for homogeneous deposition and effectively suppressing water‐induced side reactions. The as‐assembled Ti3C2Sx@Zn symmetric cell achieved a cycle life of up to 4200 h at a current density and areal capacity of 2 mA cm−2 and 1 mAh cm−2, respectively, with an impressive cumulative capacity of up to 7.25 Ah cm−2 at 5 mA cm−2//2 mAh cm−2. These findings provide an effective electrochemical strategy for tailoring −O‐depleted and unitary Ti3C2Tx surface terminals and advancing the understanding of the role of specific Ti3C2Tx surface chemistry in regulating the plating/stripping behaviors of metal ions.
A Strong Supramolecular Mechanophore with Controlled Mechanical Strength
Authors: Xia Yu , Wang Guannan , He Chengzhi , Chen Hao
Published: June 2024

Supramolecular mechanophores typically exhibit much lower mechanical strengths than covalent counterparts, with strengths usually around 100 pN, which is significantly lower than the nN‐scale strength of covalent bonds. Inspired by the slow dissociation kinetics of the cucurbit[7]uril (CB[7])–hexanoate‐isoquinoline (HIQ) complex, we discovered that charge–dipole repulsion can be utilized to create strong supramolecular mechanophores. When activated at its −COO− state, the CB[7]−HIQ complex exhibits a high mechanical strength of ~700 pN, comparable to weak covalent bonds such as Au−S bonds or thiol–maleimide adducts. The strength of the CB[7]−HIQ complex can also be tuned with pH in a gradual manner, with a minimum value of ~150 pN at its −COOH state, similar to an ordinary supramolecular conjugate. This research may pave the way for the development of supramolecular architectures that combine the advantages of covalent and supramolecular systems.
1,3,5–2,4,6‐Functionalized Benzene Molecular Cage: An Environmentally Responsive Scaffold that Supports Hierarchical Superstructures
Authors: Pang Xin‐Yu , Zhou Hang , Xie Xiaojiang , Jiang Wei , Yang Yinhua , Sessler Jonathan L. , Gong Han‐Yuan
Published: June 2024

New stimulus‐responsive scaffolds are of interest as constituents of hierarchical supramolecular ensembles. 1,3,5–2,4,6‐Functionalized, facially segregated benzene moieties have a time‐honored role as building blocks for host molecules. However, their user as switchable motifs in the construction of multi‐component supramolecular structures remains poorly explored. Here, we report a molecular cage 1, which consists of a bent anthracene dimer 3 paired with 1,3,5‐tris(aminomethyl)‐2,4,6‐triethylbenzene 2. As the result of the pH‐induced ababab↔bababa isomerization of the constituent‐functionalized benzene units derived from 2, this cage can reversibly convert between an open state and a closed form, both in solution and in the solid state. Cage 1 was used to create stimuli‐responsive hierarchical superstructures, namely Russian doll‐like complexes with [K⊂18‐crown‐6⊂1]+ and [K⊂cryptand‐222⊂1]+. The reversible assembly and disassembly of these superstructures could be induced by switching cage 1 from its open to closed form. The present study thus provides an unusual example where pH‐triggered conformation motion within a cage‐like scaffold is used to control the formation and disassociation of hierarchical ensembles.
Benzothiazole derivatives in the design of antitumor agents
Authors: Paoletti Niccolò , Supuran Claudiu T.
Published: June 2024

Benzothiazoles are a class of heterocycles with multiple applications as anticancer, antibiotic, antiviral, and anti‐inflammatory agents. Benzothiazole is a privileged scaffold in drug discovery programs for modulating a variety of biological functions. This review focuses on the design and synthesis of new benzothiazole derivatives targeting hypoxic tumors. Cancer is a major health problem, being among the leading causes of death. Tumor‐hypoxic areas promote proliferation, malignancy, and resistance to drug treatment, leading to the dysregulation of key signaling pathways that involve drug targets such as vascular endothelial growth factor, epidermal growth factor receptor, hepatocyte growth factor receptor, dual‐specificity protein kinase, cyclin‐dependent protein kinases, casein kinase 2, Rho‐related coil formation protein kinase, tunica interna endothelial cell kinase, cyclooxygenase‐2, adenosine kinase, lysophosphatidic acid acyltransferases, stearoyl‐CoA desaturase, peroxisome proliferator‐activated receptors, thioredoxin, heat shock proteins, and carbonic anhydrase IX/XII. In turn, they regulate angiogenesis, proliferation, differentiation, and cell survival, controlling the cell cycle, inflammation, the immune system, and metabolic alterations. A wide diversity of benzothiazoles were reported over the last years to interfere with various proteins involved in tumorigenesis and, more specifically, in hypoxic tumors. Many hypoxic targets are overexpressed as a result of the hypoxia‐inducible factor activation cascade and may not be present in normal tissues, providing a potential strategy for selectively targeting hypoxic cancers.
Lentiviral vector determinants of anion‐exchange chromatography elution heterogeneity
Authors: Pamenter George , Davies Lee , Lamont Ciaran , Rahim Danyal , Knevelman Carol , Miskin James , Mitrophanous Kyriacos , Dikicioglu Duygu , Bracewell Daniel G.
Published: June 2024

The demand for Lentiviral Vector (LV) drug substance is increasing. However, primary capture using convective anion‐exchange chromatography remains a significant manufacturing challenge. This stems from a poor understanding of the complex adsorption behaviors linked to LVs intricate and variable structure, such as high binding heterogeneity which is typically characterized by a gradient elution profile consisting of two peaks. Understanding which LV structural components drive these phenomena is therefore crucial for rational process design. This work identifies the key LV envelope components responsible for binding to quaternary‐amine membrane adsorbents. Eliminating the pseudotype protein (Vesicular Stomatitis Virus G glycoprotein [VSV‐G]) did not impact the heterogenous two‐peak elution profile, suggesting it is not a major binding species. Digestion of envelope glycosaminoglycans (GAGs), present on proteoglycans, leads to a dramatic reduction in the proportion of vector eluted in peak 2, decreasing from 50% to 3.1%, and a threefold increase in peak 1 maximum. Data from reinjection experiments point towards interparticle envelope heterogeneity from discrete LV populations, where the two‐peak profile emerges from a subpopulation of LVs interacting via highly charged GAGs (peak 2) along with a weaker binding population likely interacting through the phospholipid membrane and envelope protein (peak 1).
An assessment of the antihyperlipidemic ingredients of Qi Ge Decoction based on metabolomics combined with serum pharmacochemistry
Authors: Tang Hui , Guo Kai Xin , Huang Ke Er , Li Yan Fang , Chen Wei , Wei Hao Yang , Yu Xiao Qing , Ke Xue Hong
Published: June 2024

This study aims to explore the pharmacological substance basis of Qi Ge Decoction (QG) in antihyperlipidemia through a combination of metabolomics and serum pharmacochemistry. We used ultra‐performance liquid chromatography quadrupole‐time‐of‐flight/MS (UPLC Q‐TOF/MS) to analyze and identify the chemical constituents of QG in vitro and in blood chemical components. The metabolomics technology was used to analyze serum biomarkers of QG in preventing and treating hyperlipidemia. We constructed a mathematical model of the relationship between constituents absorbed into the blood and endogenous biomarkers and explored the potential therapeutic application of QG for the prevention and treatment of hyperlipidemia. Compared with the model group, the levels of total cholesterol and triglyceride in the QG group were significantly decreased (P < 0.01). A total of 12 chemical components absorbed into the blood were identified, and 48 biomarkers of the hyperlipidemia model were obtained from serum metabolomic analysis, of which 15 metabolites were backregulated after QG intervention. Puerarin, hesperetin, puerarin xyloside, calycosin, and monohydroxy‐tetramethoxyflavone had a high correlation with the biomarkers regulated by QG. This study elucidated the material basis of QG in the intervention of hyperlipidemia, thereby facilitating future research aimed at further revealing the pharmacodynamic material basis of QG's antihyperlipidemic effects.
The use of demeanour to assess the credibility of child victims in sexual interference trials
Authors: Denault Vincent , Talwar Victoria
Published: June 2024

How do judges assess witness credibility? This question is particularly important in cases where child victims testify. These cases are usually of a sensitive nature (e.g., involving allegations of abuse) where there are no other testimonial or material evidence to corroborate the account of child victims. To better understand what actually happens when judges preside over trials about sexual interference, and how, in actual courtrooms, they use demeanour to assess the credibility of child victims, we conducted a qualitative thematic analysis of real courts judgements (n = 44). The results highlighted that when assessing credibility in actual courtrooms, judges make a variety of inferences from the demeanour of child victims who testify live, with striking differences (and similarities) when defendants are found not guilty than when they are found guilty. The results of our descriptive study also provided unique insights about (correct and incorrect) beliefs judges hold about child witnesses, and how, if children fail to display behaviour they are expected to display, or if they display behaviour they are not expected to display, child victims could face difficulties at several stages of the judicial process. We discuss the results based on the literature on nonverbal behaviour and child witnesses, explaining their scope for scholars and legal practitioners.
Two Undescribed Coumarins from Notopterygium Incisum with Anti‐Inflammatory Activity
Authors: Hu Yun‐Jie , Liu Meng‐Dan , Mu Yu‐Ting , Li Cong‐Cong , Zhao Min‐Hong , Guo Da‐Le , Huang Li‐Jun , Gu Yu‐Cheng , Xue Qing‐Cai , Deng Yun
Published: June 2024

Two previously undescribed coumarins (1–2) were isolated from the root of Notopterygium incisum. The structures of new findings were elucidated by analyses of spectral evidences in HRESIMS, NMR, as well as ICD. The absolute configurations were further confirmed by chemical calculations. 1–2 exhibits obviously anti‐inflammatory activity by inhibiting the expression of inflammatory mediators (COX‐2, iNOS), as well as reducing the release of NO and the accumulation of ROS in cells. Western blotting analysis revealed that 2 could inhibit the PI3K/AKT pathway by reducing the expression of p‐PI3K and p‐AKT.
Benzofuran Iboga‐Analogs Modulate Nociception and Inflammation in an Acute Mouse Pain Model
Authors: Bhattacharya Tuhin , Gupta Abhishek , Gupta Shalini , Saha Samrat , Ghosh Shatabdi , Shireen Zofa , Dey Sanjit , Sinha Surajit
Published: June 2024

Pain management following acute injury or post‐operative procedures is highly necessary for proper recovery and quality of life. Opioids and non‐steroidal anti‐inflammatory drugs (NSAIDS) have been used for this purpose, but opioids cause addiction and withdrawal symptoms whereas NSAIDS have several systemic toxicities. Derivatives of the naturally occurring iboga alkaloids have previously shown promising behavior in anti‐addiction of morphine by virtue of their interaction with opioid receptors. On this frontier, four benzofuran analogs of the iboga family have been synthesized and their analgesic effects have been studied in formalin induced acute pain model in male Swiss albino mice at 30 mg/kg of body weight dose administered intraperitoneally. The antioxidant, anti‐inflammatory and neuro‐modulatory effects of the analogs were analyzed. Reversal of tail flick latency, restricted locomotion and anxiogenic behavior were observed in iboga alcohol, primary amide and secondary amide. Local neuroinflammatory mediators’ substance P, calcitonin gene related peptide, cyclooxygenase‐2 and p65 were significantly decreased whereas the depletion of brain derived neurotrophic factor and glia derived neurotrophic factor was overturned on iboga analog treatment. Behavioral patterns after oral administration of the best analog were also analyzed. Taken together, these results show that the iboga family of alkaloid has huge potential in pain management.
Catalytic Relevance of Mg‐Al‐O Basic Centers in the Upgrade of Ethanol to n‐Butanol
Authors: Tian Wei , Herrera José E.
Published: June 2024

The catalytic relevance of different surface functionalities present on hydrotalcite‐derived Mg−Al mixed metal oxides (MgAlO) are investigated in the context of ethanol upgrade to n‐butanol. The catalyst structure and active sites were altered through changes in the Mg/Al ratio and introduction of additional redox metal oxide functionalities. After performing a series of catalytic activity tests, operando FTIR characterization, TGA measurements and in situ active center titration; qualitative and quantitative relationships between catalyst structure and catalytic performance are obtained. We found the Mg−Al mixed metal oxides system can catalyze the ethanol to n‐butanol process through a Guerbet reaction pathway, though the process is kinetically limited. By introducing redox active metal oxides to the catalyst formulation, such as MoO3 or V2O5, this problem can be partially solved, but at a cost of losing a significant fraction of high‐strength basic centers which are the most catalytically relevant function in the system, as they control enolate formation rates leading to the C−C coupling step required for n‐butanol formation.
Preparation of Ni2P with a Surface Nickel Phosphosulfide Layer by Reduction of Mixtures of Na4P2S6 and NiCl2
Authors: He Ming , Li Tiefu , Li Xiang , Wang Anjie , Sheng Qiang , Shang Sensen , Yu Zhiqing
Published: June 2024

A series of physical mixtures of Na4P2S6 and NiCl2 (P‐NiPS(x), where x represents the P/Ni molar ratio) were employed for the preparation of Ni2P. For comparison, a sulfur‐containing Ni2P catalyst (Ni2P‐S) and a sulfur‐free Ni2P catalyst (Ni2P‐TPR) were prepared by reduction of Ni2P2S6 and a nickel phosphate precursor, respectively. The reduction of the P‐NiPS(x) precursors with P/Ni ratios above 2/3 yielded Ni2P catalysts with a distinct nickel phosphosulfide layer (NiPS(x)), and the Ni2P phase started to form at ca. 200 °C. The reduction of Ni2P2S6 to Ni2P most likely follows a disproportionation mechanism. The P3+ species in Ni2P2S6 disproportionate to PH3 and P5+ during the reduction, and PH3 further reacts with nickel and sulfur species to form Ni2P and the surface nickel phosphosulfide layer. The sulfur atoms in the nickel phosphosulfide phase were in the form of S2−. The introduction of sulfur to Ni2P favored the hydrogenation pathway of the hydrodesulfurization (HDS) of dibenzothiophene (DBT), but hardly affected the direct desulfurization (DDS) pathway and inhibited the hydrogenation of biphenyl. The DDS pathway rate constants of DBT HDS over the Ni2P‐TPR and NiPS(x) catalysts were observed to increase linearly with the increase in their surface Ni atomic concentrations.
Microwave‐Assisted Ultrafast Synthesis of Bimetallic Nickel‐Cobalt Metal‐Organic Frameworks for Application in the Oxygen Evolution Reaction
Authors: Beglau Thi Hai Yen , Fei Yanyan , Janiak Christoph
Published: June 2024

Herein, a series of monometallic Ni‐, Co‐ and Zn‐MOFs and bimetallic NiCo‐, NiZn‐ and CoZn‐MOFs of formula M2(BDC)2DABCO and (M,M’)2(BDC)2DABCO, respectively, (M, M’=metal) with the same pillar and layer linkers 1,4‐diazabicyclo[2.2.2]octane (DABCO) and benzene‐1,4‐dicarboxylate (BDC) were prepared through a fast microwave‐assisted thermal conversion synthesis method (MW) within only 12 min. In the bimetallic MOFs the ratio M:M’ was 4 : 1. The mono‐ and bimetallic MOFs were selected to systematically explore the catalytic‐activity of their derived metal oxide/hydroxides for the oxygen evolution reaction (OER). Among all tested bimetallic MOF‐derived catalysts, the NiCoMOF exhibits superior catalytic activity for the OER with the lowest overpotentials of 301 mV and Tafel slopes of 42 mV dec−1 on a rotating disk glassy carbon electrode (RD‐GCE) in 1 mol L−1 KOH electrolyte at a current density of 10 mA cm−2. In addition, NiCoMOF was insitu grown in just 25 min by the MW synthesis on the surface of nickel foam (NF) with, for example, a mass loading of 16.6 mgMOF/gNF, where overpotentials of 313 and 328 mV at current densities of 50 and 300 mA cm−2, respectively, were delivered and superior long‐term stability for practical OER application. The low Tafel slope of 27 mV dec−1, as well as a low reaction resistance from electrochemical impedance spectroscopy (EIS) measurement (Rfar=2 Ω), confirm the excellent OER performance of this NiCoMOF/NF composite. During the electrocatalytic processes or even before upon KOH pre‐treatment, the MOFs are transformed to the mixed‐metal hydroxide phase α‐/β‐M(OH)2 which presents the active species in the reactions (turnover frequency TOF=0.252 s−1 at an overpotential of 320 mV). Compared to the TOF from β‐M(OH)2 (0.002 s−1), our study demonstrates that a bimetallic MOF improves the electrocatalytic performance of the derived catalyst by giving an intimate and uniform mixture of the involved metals at the nanoscale.
Cobalt‐Catalyzed Allylic Alkylation at sp3‐Carbon Centers
Authors: Joseph Ebbin , Tunge Jon A.
Published: June 2024

The rising demand and financial costs of noble transition metal catalysts have emphasized the need for sustainable catalytic approaches. Over the past few years, base‐metal catalysts have emerged as ideal candidates to replace their noble‐metal counterparts because of their abundance and easiness of handling. Despite the significant advancements achieved with precious transition metals, earth‐abundant cobalt catalysts have emerged as efficient alternatives for allylic substitution reactions. In this review, allylic alkylations at sp3‐carbon centers mediated by cobalt will be discussed, with a special focus on the mechanistic features, scope, and limitations.
Optimizing drain depth and spacing to minimize nitrogen loss in southwest Punjab using DRAINMOD‐NII
Authors: Dar Mehraj U. Din , Singh J. P.
Published: June 2024

The DRAINMOD‐NII model was used to evaluate the water table behavior and nitrate movement using field data from the Thehri experimental field in Muktsar district, southwest Punjab, India. To optimize the drainage design parameters for efficient nitrogen management, a scenario analysis of water table depth, drain outflows, and nitrogen load was carried out for different drain depths and spacings. The rice–wheat cropping system was followed for 2 years, from 2018 to 2020. The conventional subsurface drainage system was installed in the study area. The recorded data consisted of daily drain outflows, water table depths, daily nitrate concentrations in the drain outflows, and relative crop yields. The DRAINMOD‐NII model was calibrated and validated for 2018–2019 and 2019–2020, respectively. The model's reliability was assessed by comparing the measured and predicted values of daily drain outflows, water table depth, daily nitrate loads, and relative crop yields during each season. A better agreement was found between the observed and simulated values. Root mean square error, Nash–Sutcliffe model efficiency, R2, and percentage bias values during the calibration period ranged from 1.76 to 7.5; 0.48 to 0.88; 0.70 to 1.00; and −6.04 to 5.02, respectively, for the recorded parameters. A similar statistical evaluation was also performed during the validation period. The scenario analysis of drain depth and spacing concluded that a depth of 1.3 m and spacing of 42 m could be optimal for better crop yield and lesser nitrogen losses. Hence DRAINMOD NII model is a tool for drainage systems design.
Role of epigenetic regulation on catecholamine synthesis in pheochromocytoma and paraganglioma
Authors: Kaplinsky Anna , Halperin Reut , Shlomai Gadi , Tirosh Amit
Published: June 2024

Introduction

Pheochromocytomas and paragangliomas (PPGLs) typically secrete catecholamines and their metabolites (metanephrines [MN] and normetanephrine [NMN]). Catecholamines are synthesized by several enzymes: phenylalanine hydroxylase (encoded by PAH), tyrosine hydroxylase (TH), aromatic L‐amino acid decarboxylase (DDC), dopamine β‐hydroxylase (DBH), and phenylethanolamine N‐methyltransferase (PNMT). MN/NMN secretion varies between anatomical and molecular subgroups. The aim of this study was to assess the correlation between DNA methylation of catecholamine synthesis genes and MN/NMN secretion.

Methods

Gene promoter methylation of PAH, TH, AADC, DBH, and PNMT were extracted and calculated based on publicly available data. Comparisons and correlation analysis were performed between MN ± NMN (MN/NMN), NMN only, and neither/unknown secretion patterns. Methylation levels and MN/NMN patterns were compared by three genetic alteration subgroups: pseudohypoxia (PH), kinase signaling (KS), and others.

Results

A total of 178 cases were included. Methylation of PAH CpGs negatively correlated with probability for MN/NMN secretion (p < .05 for all CpGs) and positively with NMN‐only secretion. NMN‐only secreting tumors had significantly higher promoter methylation of PAH, DBH, and PNMT compared with MN/NMN‐secreting tumors. MN/NMN‐secreting PPGLs had mainly KS alterations (52.1%), whereas NMN‐only PPGLs had PH alterations (41.9%). PPGLs in the PH versus KS group had gene promoter hypermethylation of PAH (p = .002), DBH (p = .02), and PNMT (p = .003).

Conclusions

Promoter methylation of genes encoding catecholamine synthesis enzymes is strongly and inversely correlated with MN/NMN patterns in PPGLs. KS and PH‐related tumors have distinct methylation patterns. These results imply that methylation is a key regulatory mechanism of catecholamine synthesis in PPGLs.
First‐Principle Characterization of Structural, Electronic, and Optical Properties of Tin‐Halide Monomers
Authors: Schütt Freerk , Valencia Ana M. , Cocchi Caterina
Published: June 2024

The growing interest in tin‐halide semiconductors for photovoltaic applications demands in‐depth knowledge of the fundamental properties of their constituents, starting from the smallest monomers entering the initial stages of formation. In this first‐principles work based on time‐dependent density‐functional theory, we investigate the structural, electronic, and optical properties of tin‐halide molecules SnXn2−n, with
and X=Cl, Br, I, simulating these compounds in vacuo as well as in an implicit solvent. We find that structural properties are very sensitive to the halogen species while the charge distribution is also affected by stoichiometry. The ionicity of the Sn−X bond is confirmed by the Bader charge analysis albeit charge displacement plots point to more complex metal‐halide coordination. Particular focus is posed on the neutral molecules SnX2, for which electronic and optical properties are discussed in detail. Band gaps and absorption onset decrease with increasing size of the halogen species, and despite general common features, each molecule displays peculiar optical signatures. Our results are elaborated in the context of experimental and theoretical literature, including the more widely studied lead‐halide analogs, aiming to contribute with microscopic insight to a better understanding of tin‐halide perovskites.
Unique Multi‐Hetero‐Interface Engineering of Fe‐Doped Co‐LDH@MoS2‐Ni3S2 Nanoflower‐Based Electrocatalyst for Overall Water‐Splitting: An Experimental and Theoretical Investigation
Authors: Phadikar Ujjwal , Sanyal Gopal , Das Srijib , Kundu Aniruddha , Kuila Chinmoy , Murmu Naresh Chandra , Chakraborty Brahmananda , Kuila Tapas
Published: June 2024

Herein, a self‐supported, robust, and noble‐metal‐free 3D hierarchical interface‐rich Fe‐doped Co‐LDH@MoS2‐Ni3S2/NF heterostructure electrocatalyst has been prepared through a controllable two‐step hydrothermal process. The resultant electrode shows low overpotential of ~95 mV for hydrogen evolution reaction (HER), ~220 mV for the oxygen evolution reaction (OER), and the two‐electrode system requires only a cell voltage of ~1.54 V at 10 mA cm−2 current density, respectively. Extensive ab initio calculations were carried out to find out the overpotential for HER, orbital interaction through the determination of electron density of states and quantification of charge transfer by Bader charge analysis. The computed overpotential matched closely with the experimental data. The superior HER performance of the tri‐layer is enhanced due to the charge transfer (1.7444 e) to Fe‐doped Co‐LDH from Ni3S2‐MoS2 hybrid. This research strategy paves an effective pathway for affordable green H2 production and future efficient non‐precious bifunctional electrocatalyst design for overall water electrolysis.
Expanding the Use of Benzothioxanthene Imides to Photochemistry: Eco‐Friendly Aerobic Oxidation of Sulfides to Sulfoxides
Authors: Serviou Stamatis K. , Gkizis Petros L. , Sánchez Darío Puchán , Plassais Nathan , Gohier Frédéric , Cabanetos Clement , Kokotos Christoforos G.
Published: June 2024

The sulfoxide moiety is one of the most commonly utilized groups in pharmaceutical and industrial chemistry. The need for sustainability and easy accessibility to sulfoxide moieties is deemed necessary, due to its ubiquity in natural products and potentially pharmaceutically active compounds. In this context, we report herein a sustainable, aerobic and environmentally friendly photochemical protocol based on the use of a benzothioxathene imide as the photocatalyst to selectively oxidize sulfides under mild irradiation (456 nm), in very low catalyst loading (0.01 mol %) and on water. In addition, to demonstrate the compatibility of our protocol with wide scope of substrates, the latter was successfully applied to the synthesis of the biologically‐active Sulforaphane and Modafinil.
Memristor‐based dual mode whole‐process Pavlov associative memory circuit
Authors: Wang Hongting , Yang Yan , Fu Qiang , Wang Dongqing
Published: June 2024

Pavlov associative memory experiment includes four laws: acquisition, extinction, generalization, and differentiation. The memristor synapses‐based Pavlov circuit is of great significance to the construction of neuromorphic computing system and the simulation of brain‐like function. However, few studies have been able to completely implement the whole process of Pavlov associative memory experiment. In this paper, a memristor‐based dual‐mode Pavlov whole‐process circuit is investigated and simulated; it includes the following: (1) the memristor‐based auditory neuron circuit and the visual neuron circuit are constructed to realize the learning and forgetting dual mode process of auditory and visual associative memory, respectively; (2) different from classic considering at mode switching time, the interaction between dual learning modes (the auditory learning and visual learning) is explored over a whole learning process; the whole process is proactive inhibition and retroactive inhibition in psychology; (3) different from traditional processes starting from a fixed input, a generalization and differentiation circuit is constructed to learn three similar stimulus input signals as parallel relationships and achieve the generalization and differentiation process starting from any input signal.
Roles of odorant receptors during olfactory glomerular map formation
Authors: Nakashima Ai , Takeuchi Haruki
Published: June 2024

The organization of the olfactory glomerular map involves the convergence of olfactory sensory neurons (OSNs) expressing the same odorant receptor (OR) into glomeruli in the olfactory bulb (OB). A remarkable feature of the olfactory glomerular map formation is that the identity of OR instructs the topography of the bulb, resulting in thousands of discrete glomeruli in mice. Several lines of evidence indicate that ORs control the expression levels of various kinds of transmembrane proteins to form glomeruli at appropriate regions of the OB. In this review, we will discuss how the OR identity is decoded by OSNs into gene expression through intracellular regulatory mechanisms.