bluuebunny/crossref_metadata_2025 huggingface dataset:
Bacillus subtilis YZ‐1 surfactins are involved in effective toxicity against agricultural pests
Authors: Xia Mengyuan , Munir Shahzad , Li Yongmei , Ahmed Ayesha , He Pengbo , Wu Yixin , Li Xingyu , Tang Ping , Wang Zaiqiang , He Pengfei , Wang Yuehu , He Yueqiu
Published: September 2023

BACKGROUND

Insect pests negatively affect crop quality and yield. The excessive use of chemical pesticides has serious impacts on the environment and food safety. Therefore, development of effective management strategies in the form of bio‐agents have important agricultural applications. Tenebrio molitor, a storage pest, causes losses of grains, medicinal materials, and various agricultural and related products in the warehouse. Bacillus subtilis YZ‐1 isolated from naturally deceased Pieris rapae has been found to exhibit significant toxicity against T. molitor.

RESULTS

Treatment with B. subtilis YZ‐1 fermentation broth resulted in a 90–95% mortality rate of T. molitor within 36 h post‐treatment, indicating some active substances may have insecticidal activity in the bacterial supernatant. A bioactivity‐guided fractionation method was used to isolate the insecticidal compounds from YZ‐1, which led to the identification of surfactins. Additionally, a surfactin deletion mutant YZ‐1△srfAA was constructed and the surfactin production by the mutant YZ‐1△srfAA was verified through liquid chromatography–mass spectrometry (LC–MS). Further, YZ‐1△srfAA exhibited loss of insecticidal activity against T. molitor, Plutella xylostella and Achelura yunnanensis. The insecticidal activity and surfactins contents of several strains of Bacillus sp. were also tested and correlation was found between varying surfactins yield and insecticidal activity exhibited by different strains.

CONCLUSION

Conclusively, our results suggest that B. subtilis YZ‐1 may provide a novel approach for plant protection against agricultural pests. © 2023 Society of Chemical Industry.
Current therapeutic targets and multifaceted physiological impacts of caffeine
Authors: Song Xinjie , Kirtipal Nikhil , Lee Sunjae , Malý Petr , Bharadwaj Shiv
Published: September 2023

Caffeine, which shares consubstantial structural similarity with purine adenosine, has been demonstrated as a nonselective adenosine receptor antagonist for eliciting most of the biological functions at physiologically relevant dosages. Accumulating evidence supports caffeine's beneficial effects against different disorders, such as total cardiovascular diseases and type 2 diabetes. Conversely, paradoxical effects are also linked to caffeine ingestion in humans including hypertension–hypotension and tachycardia–bradycardia. These observations suggest the association of caffeine action with its ingested concentration and/or concurrent interaction with preferential molecular targets to direct explicit events in the human body. Thus, a coherent analysis of the functional targets of caffeine, relevant to normal physiology, and disease pathophysiology, is required to understand the pharmacology of caffeine. This review provides a broad overview of the experimentally validated targets of caffeine, particularly those of therapeutic interest, and the impacts of caffeine on organ‐specific physiology and pathophysiology. Overall, the available empirical and epidemiological evidence supports the dose‐dependent functional activities of caffeine and advocates for further studies to get insights into the caffeine‐induced changes under specific conditions, such as asthma, DNA repair, and cancer, in view of its therapeutic applications.
A novel second‐order mixture importance sampling strategy for system reliability analysis
Authors: Chen Junhua , Chen Guangsong , Wang Xin , Chen Longmiao , Qian Linfang
Published: September 2023

Reliability analysis and evaluation of systems with multiple failure modes is extremely challenging. In this paper, a novel, efficient, and accurate system reliability method is proposed based on the second‐order approximation and the mixture important sampling (mixture‐IS) method. The proposed method does not require the construction of surrogate models and integrates the advantages of second‐order approximation and mixture‐IS strategies, which can greatly reduce the computational effort of estimating the system failure probability as well as ensuring the accuracy. The accuracy and efficiency of the proposed method are verified by several numerical and engineering problems, and comparisons are made against other existing reliability methods. The results indicate that the method can effectively reduce the number of limit state function calls and achieve high computational accuracy.
Optical Router and 4 × 1 Multiplexer of Coexisting Crystal Field and Non‐Hermitian Autler‐Townes Splitting Controlled by Photon–Phonon Dressing in Eu3+: BiPO4
Authors: Mujahid Anas , Fan Huanrong , Wang Yafen , Raza Faizan , Ahmed Irfan , Guo Yaxin , Munir Faisal , Usman Muhammad , Li Bo , Zhang Yanpeng
Published: September 2023

For the first time, the Autler Townes‐splitting dependency on parity‐time symmetry breaking is investigated. The first‐, second‐, and third‐order splitting in spectral domain outputs obtained through different phase transitions of Eu3+: BiPO4 are explored. First‐order splitting corresponds to pure crystal field splitting attributed to the shifting of energy levels and the inherent effect of the crystal field. Second/third‐order splitting results from the coexistence of crystal field and non‐Hermitian spectral Autler Townes (SAT)‐splitting caused by single‐photon dressing coupled with the interaction of phonon and double photon–phonon dressing. It is further explored the relationship between spectral and temporal‐domain splitting obtained through the different phases of Eu3+: BiPO4 by changing the laser detuning. It is authenticated that the contributions of crystal field, photon, and phonon dressing interactions can only be individually distinguished in the spectral domain. Moreover, the experiment results suggest the analogy of an optical 4 × 1 multiplexer with a channel spacing contrast of ≈91% and an optical router with a channel equalization ratio of ≈93%.
Robust tracking control for uncertain Euler–Lagrange systems via dynamic event‐triggered and self‐triggered ADP
Authors: Chen Lu , Hao Fei
Published: September 2023

This article investigates the robust tracking control problem for a class of Euler–Lagrange systems in presence of parameter uncertainties and external disturbances. Through system transformation and theoretical analysis, an adaptive dynamic programming (ADP) algorithm with two adaptive neural networks (NNs) and a suitable triggering mechanism is proposed to attain the robust stability of the closed‐loop system. A single critic NN is leveraged to implement the approximate optimal controller design. Particularly, an NN‐based feedforward compensation is developed to cope with the uncertainties with unknown bounds. Two different triggering mechanisms are respectively constructed to reduce the budget of sampling, communication and computation, namely the dynamic event‐triggering mechanism (DETM) and the self‐triggering mechanism (STM). The DETM is utilized to decide the update of remote controller and critic NN weight, which can yield a larger inter‐event interval than the static event‐triggering mechanism. Also, the Zeno‐free behavior is guaranteed. Moreover, it is a novel attempt to introduce the STM into ADP design, which relaxes the demand of dedicated hardware online monitoring the event‐triggering condition. Then it is demonstrated that all signals in the closed‐loop system are uniformly ultimately bounded (UUB) via Lyapunov‐based stability analysis. Finally, a simulation example of 2‐link robotic system is implemented to verify the feasibility and effectiveness of the proposed algorithm.
Separation and Purification of Liquiritigenin by Ultrafiltration‐Solid Membrane Complexation Extraction Coupling Technology
Authors: Wan Lingjuan , Shi Panqi , Feng Xiaoli , He Hongjie , Ran Xin , Liu Xiaoxia , Xu Yiwen , Liu Meiqing , Liu Yuanyuan , Wei Shuchang
Published: September 2023

An ultrafiltration‐solid membrane complexation extraction and reverse extraction method was developed for the separation and purification of liquiritigenin in licorice ultrafiltration, using ultrafiltration as the precursor technology. The effects of ultrafiltration pH, extraction time and three‐phase flow rate on the single‐stage extraction and reverse extraction rates of liquiritigenin in solid membrane were investigated, then the applicability of the single‐stage process to the cascade solid membrane was investigated. The optimum cascade solid membrane process was obtained with ultrafiltration pH=6, extraction time of 36 h and three‐phase flow rate of ultrafiltration: extractant: reverse extractant=188 : 188 : 94 mL min−1, under which the total transfer rate of liquiritigenin was 75.73 %. The results showed that the solid membrane single‐stage process was equally applicable to cascade solid membranes, and the results may provide a novel technology with high efficiency, environmentally friendly and low‐cost for the separation of flavonoids in licorice.
Porous Structure Inherited from Pine Wood and Stacking Defects Synergistically Enhancing Electromagnetic Wave Absorption of SiC
Authors: Liu Chenyu , Wei Zhengqing , Geng Zhaoyang , Wang Jiankang , Tong Zhibo
Published: September 2023

The traditional electromagnetic (EM) absorbing materials suffers from the poor performance and instability at high temperature, greatly hindering their wide application. Herein, pine wood‐derived SiC with porous structure and plentiful defect sites was synthesized by carbonization and subsequent chemical vapor infiltration process. The influence of drying pretreatment way (freeze drying vs thermostatic drying), carbonization temperature and Si powder/carbon ratio on structure and electromagnetic (EM) wave absorption performance were studied in detail. The optimized SiC with plentiful pore structure and numerous stacking faults showed superior EM wave absorption abilities with a minimum RL value of −42 dB and the effective bandwidth of 14.4 GHz (3.6–18 GHz). The synergistic effect between porous structure inherited from pine wood and stacking faults distinctly enhanced EM wave absorbing performance of SiC. This work demonstrate that rationally design of biomass‐derived SiC material is a promising way of developing high performance absorber.
Molecular Dynamics Simulations of a Hexanitrohexaazaisowurtzitane/4‐Amino‐3,7‐dinitro‐ [1,2,4]triazolo[5,1‐c] [1,2,4]triazine Cocrystal
Authors: Yue Hong , Wang Jingtao
Published: September 2023

Cocrystal is considered an effective way to improve the performance of energetic materials and might be used to solve the contradiction between the energy density and safety. In this paper, hexanitrohexaazaisowurtzitane (CL‐20) and 4amino‐3,7‐dinitro‐[1,2,4]triazolo[5,1‐c] [1,2,4]triazine (TTX) are modeled, and the cocrystal structure of hexanitrohexaazaisowurtzitane/4‐Amino‐3,7‐dinitro‐ [1,2,4]triazolo[5,1‐c] [1,2,4]triazine (CL‐20/TTX) is simulated by molecular dynamics. Based on the model equilibrium, this paper demonstrates a strong intermolecular interaction between CL‐20 and TTX with the generation of hydrogen bonds by simulating the binding energy, radial distribution function (RDF) and X‐ray powder diffraction (XRD) of CL‐20/TTX. All the above characterizations could prove that a new type of cocrystal structure may exist between CL‐20 and TTX, i. e., CL‐20/TTX is a new type of cocrystal material. The cohesive energy density (CED), trigger bond length and mechanical properties between the two are also simulated in this paper, and it is concluded that this cocrystal structure could greatly improve not only the high sensitivity defects of CL‐20, but also the mechanical properties of CL‐20 and TTX. The simulation of the CL‐20/TTX cocrystal structure in this paper could provide a reference for the screening of CL‐20 cocrystal and provide guidance for future experimental preparation.
H2S Mediated One‐Pot Synthesis of Single Phase Hexagonal CoS Nano‐Spheres: A Pseudocapacitive Electrode for Hybrid Supercapacitors
Authors: Kushwaha Vishal , Mondal Rakesh , Mandal K. D. , Singh Preetam , Gupta Asha
Published: September 2023

Due to their exceptional qualities like high power density, extended cycle life, quick response, rapid charging periods, higher capacitance, and moderate energy density, hybrid (Asymmetric) supercapacitors (HSCs) have become a potential energy storage option as bulk energy storage devices to harness the renewable energy generated through sources such as solar, wind and tidal as an alternative to fossil fuels. Single‐phase hexagonal CoS nano‐sphere was successfully synthesized via the H2S‐mediated one‐pot synthesis route, characterized by crystallographic and microscopic techniques, and further investigated as a potential pseudocapacitive electrode material for use in large‐scale energy storage systems. The CoS electrode showed a superior specific capacitance of 761 F/g at 1 A/g current density from the galvanostatic discharge profile, and a capacitance of 776 F/g at 1 mV/s from the CV curve in 2 M KOH aqueous electrolyte. An aqueous asymmetric hybrid supercapacitor (HSC) device was assembled with activated carbon (AC) as the negative electrode and the CoS as the positive electrode. The device (full cell in HSC mode) results in high energy and power densities of 139.7 Wh/kg and 7.51 kW/kg, respectively, with excellent cyclic stability of up to 87 % after 10000 continuous charge‐discharge cycles. The electrochemical measurements demonstrate high‐rate capacity and good cyclic stability of the CoS nano‐sphere, suggesting a great potential to be used as a supercapacitor electrode.
Effect of Hydrothermal Reaction Time on Structure, Magnetic, and Biological Properties of Iron Sulfide Nanoparticles
Authors: Naser Dalal Maseer , Lafta Sadiq H. , Hashim Mustafa Shakir
Published: September 2023

Three samples of Fe−S were prepared with different hydrothermal periods (6, 12, and 18 h). X‐ray diffraction (XRD) test showed that the first produced sample contained 42.3 wt % of magnetite, 35 wt % of greigite, and 22.7 wt % of pyrite phases. The same phases were formed during the second period but with different wt % ratios. The greigite increased to 67.8 wt % by the third period, while the magnetite and pyrite phases vanished and were associated with a low ratio of the presence of pyrrhotite and FeO2. Scanning electron microscope (SEM) images confirmed the formation of the nanoparticles. The increase in the hydrothermal time produced a reduction in the saturation magnetization (39.8 to 9.1) emu/g and the remanence magnetization (8 to 2.4) emu/g, and increasing in the coercivity. To assess the viability of Michigan Cancer Foundation‐7 (MCF‐7) and hemolytic disease of the fetus and newborn (HdFn) cells, a colorimetric assay for assessing cell metabolic activity (MTT) was applied to the third sample. The outcome verified iron sulfide‘s cytocompatibility against HdFn cells even at high concentrations and good anticancer activity against MCF‐7 cell lines. The result of the DPPH test confirmed that the third sample had antioxidant activity equivalent to that of ascorbic acid.
Synthesis and Characterization of (R)‐N‐1‐Cyclohexylethylamine Borane
Authors: Turani‐I‐Belloto Kevin , Granier Dominique , Yot Pascal G. , Alauzun Johan G. , Demirci Umit B.
Published: September 2023

A new solid amine borane is reported here. The reaction of (R)‐(−)‐1‐cyclohexylethylamine (a liquid at room temperature) with borane dimethylsulfide yields crystals of pure (R)‐N‐1‐cyclohexylethylamine borane C6H11CH(CH3)NH2BH3 (CHEAB). The successful synthesis was confirmed by molecular analyses (FTIR, Raman and NMR). The crystals are in the form of millimeter‐sized translucent sticks, which allowed determining that CHEAB crystallizes in the orthorhombic system, the space group being P212121. All of the characterization results, together with DFT calculations, strongly suggest the occurrence of intermolecular dihydrogen bonds between antiparallel NH2BH3 groups that are in a trimeric configuration.
Ring‐Opening Polymerization of ϵ‐Caprolactone by Benzoic Acid in the Presence of Benzyl Alcohol as Initiator
Authors: Wu Hai‐Bo , Zhou Xian‐Tai , Zhou Xiao‐Wu , Fang Yan‐Xiong
Published: September 2023

The development of a feasible industrial method for poly(ϵ‐caprolactone) (PCL) preparation is great of significant and challenging. The bulk ring‐opening polymerization of ϵ‐caprolactone (ϵ‐CL) using various organic acid catalysts and benzyl alcohol (BnOH) as the initiator was developed. Benzoic acid (BA) has been proved to be an efficient catalyst for the ROP of ϵ‐CL under mild conditions. The conversion of ϵ‐CL to PCL was 84.7 % under the optimized reaction conditions, with number‐average molecular weight (Mn) and dispersity (PDI) of 7700 g/mol and 1.25, respectively. Moreover, a monomer‐activated ring‐opening polymerization mechanism mediated by benzoic acid was proposed. Overall, this work is expected to provide a feasible industrial method for the preparation of PCL using benzoic acid as organocatalyst.
A Review of Recovering Lithium and Cobalt from Spent LiCoO2 Lithium‐Ion Batteries Cathode
Authors: Zhang Zhiguo , Fang Ziming , Li Ying , Huang Yina , Shen Yanting , Xiong Bitao , Zhao Wenhua , Li Xing'ao , Lang Xiaoli , Yang Huanping
Published: September 2023

To address the issue of excess carbon emissions, China has outlined peaking the carbon emissions and achieving neutrality of carbon goals. New energy storage devices thus have been popularly developed in the past decade. Lithium‐ion batteries(LIBs) have emerged as the most prevalent devices in our daily routines. In the coming decades a huge amount of LIBs will be retired. Spent LIBs are endowed with valuable metal elements that are potentially recyclable. This paper is intended to review the recent studies on the recovery of lithium(Li) and cobalt(Co) from spent LiCoO2 batteries. This paper pays much attention to the hydrometallurgical, pyrometallurgical approaches to recycle lithium and cobalt from spent LIBs including leaching, reducing, and extracting by various inorganic or organic agents in hydrometallurgical methods and different kinds of reductants in pyrometallurgical methods. Last but not least, electrochemical methods, mechanochemistry and biometallurgy are focused for reviewing emerging, low‐cost, environmentally friendly methods. Hopefully, this review can inspire to further studies on recycling lithium and cobalt from spent LiCoO2 LIBs.
Structural Study, Spectroscopic Characterization and Evaluation of the Antimicrobial Behavior of a New Fe (III) Organic‐Inorganic Hybrid Material: (C8H14N2)4[(FeCl6)(FeCl4)]Cl4
Authors: Essghaier Badiaa , Methamem Manel , Faouzi Zid Mohamed , Fakhar Bourguiba Noura
Published: September 2023

Due to the increasing demand for novel antimicrobials agents to treat microbial infections, the current work, focused on the synthesis of new agents owing innovative chemistry and modes of action. We describe an organic‐inorganic hybrid compound with the formula (C8H14N2)4[(FeCl6)(FeCl4)]Cl4, it was synthesized via slow evaporation at room temperature, and characterized using various techniques. The compound crystallizes in the tetragonal system, with I41/a space group. In the crystal structure, the organic layers are made up of protonated m‐Xylylene diamine (C8H14N2)2+ creating between them free tunnels, in which inorganic entities can be placed. These entities contain one octahedral (FeCl6)3− ion, one tetrahedral (FeCl4)−, and uncoordinated chlorine anions. Crystal cohesion is achieved through N−H…Cl hydrogen bonds and Cl…Cl interactions. The UV‐vis spectroscopy was investigated and the optical band gap energy 2.00 eV suggests the semiconductor behavior of the title compound. The functional groups present in the crystal structure were performed by FTIR spectroscopy. Thermal analysis was also carried out. Analysis of the Hirshfeld surface revealed that the H…Cl/Cl…H interactions dominate the structure (74 %). The new Fe(III) complex gave strong antibacterial potential against S. aureus, E. coli, M. luteus, it was able to inhibit growth of Candida species and Trichophyton intergiditale and showing lysozyme activity.
Peptides and Peptide Derivatives as G‐Quadruplex Targeting Ligands: A Brief Review
Authors: Basak Shubhanwita , Biswas Soumi , Naskar Jishu
Published: September 2023

Genomic DNA adopts B‐form canonically. Besides, the oligonucleotides can adopt various non‐canonical secondary structures. These are hairpins, cruciforms, triplexes, quadruplexes (G4), i‐motifs etc. G4s are usually formed by the guanine rich oligonucleotides and are found in both DNA and RNA. G4s are more frequently distributed in telomeres, promoter oncogenes, immunoglobulin switch regions, ribosomal DNA etc. Recently, it has been established that G4s are intriguingly connected with different human diseases including cancer. Stabilization of G4s by designed molecules or drugs impedes the transcription of several oncogenes and also creates encumbrance to the telomere biogenesis which is very important in impediment of cancer. G4 is treated as an important molecular target in the discovery of anti‐cancer drugs. Among the G4 targeting molecules, peptides draw sincere attention due to its small size, simple synthetic methodology, low cytotoxicity and cellular permeability. In this review, our main discussion revolves around the formation of G4, distribution of G4 in genome, structurally diverse peptides (linear, cyclic, branch, conjugated) having potential to target G4 structures and its future perspectives.
Synthesis of 3‐Spiro Cycloalkenes Fused 7‐Aza‐2‐indalones from 3,3′‐di‐ or N,3,3′‐tri‐ allyl/homoallyl/pentenyl 7‐Aza‐2‐indalones via Ring Closing Metathesis using Grubbs‐II Catalyst
Authors: Chirranjeevi Padmashrija Ammundi Jayavel , Kannadasan Sathananthan , Shanmugam Ponnusamy
Published: September 2023

A facile and efficient synthesis of 3‐spiro cycloalkene fused 7‐aza‐2‐indalones from 3,3′‐di‐ or N,3,3′‐tri‐ allyl/homoallyl/pentenyl 7‐aza‐2‐indalones via ring‐closing metathesis (RCM) using Grubbs‐II catalyst has been achieved. The scope of the reaction has been demonstrated by synthesizing spiro products of various ring sizes (n=5, 7, and 18), utilizing 2‐indalone/7‐azaindalone and various alkenylation agents such as allyl/homoallyl/pentenyl bromides as substrates. In addition to usual RCM products, a cross metathesis (CM) product was observed when the substrate was N,3,3′‐triallylated derivative from 2‐indalone. Notably, a macrocyclic, 18‐membered bis‐spirodiene of N‐methyl‐7‐azaindalone was observed by means of intermolecular ring‐closing metathesis (RCM‐RCM). Also, Structures of a few representative spiro‐annulated products were evidenced with single crystal XRD analysis. Furthermore, a plausible mechanism for the products is discussed.
Synthesis, Characterization and Anticancer Molecular Docking Studies of Phenothiazine Derivatives – A Green Chemical Approach
Authors: Venkatesan K. , Kumar K. M. , Sivakumar A.
Published: September 2023

Phenothiazines are antipsychotic drugs that have been studied for millennia. In addition to its fundamental neuroleptic properties, phenothiazines have attracted study attention for their anticancer properties. To develop powerful anticancer medications, we have concentrated on a variety of phenothiazine designs. In this study, we used a single step multicomponent reaction of N‐alkyl‐3‐formyl phenothiazine under reflux/ultrasonic conditions to produce a range of heterocyclic derivatives containing phenothiazine molecules. To characterize the structures of novel compounds, IR, 1H‐NMR, 13C‐NMR, and mass spectral data were utilized. Utilizing different cancer cell proteins, all the derivatives were investigated for their potential as anticancer molecules.
Metal‐Free Regioselective 1,6‐Conjugate Addition of Sulfide to para‐Quinone Methides: Simple Access to E‐Selective Thiaoxacyclophanes
Authors: Kotha Sambasivarao , Gupta Naveen K. , Solanke Balaji U.
Published: September 2023

We realized a simple approach involving the 1,6‐conjugate addition (regioselective thiolation) of para‐quinone methides (p‐QMs) with easily available thio‐based nucleophiles. Through ring‐closing metathesis (RCM), this procedure delivered a variety of para‐ and meta‐thiaoxacyclophanes as E‐isomers in good yields. A simple thiol‐free one‐pot approach is reported for the direct synthesis of sulfides and sulfones under green reaction conditions without the use of any metal catalysts. Low‐cost and easily accessible compounds such as p‐QMs and benzyl bromides are used as starting materials in the presence of potassium thioacetate (PTA) and Oxone®. Novel thiaoxacyclophanes were assembled in three simple steps including conjugate addition of PTA, Grignard addition, and RCM sequence.
Rapid Access to Sulfenylated Spiro[5.5]trienones via PIFA‐promoted Dearomative Spirocyclization of Biaryl Ynones
Authors: Chen Zhichao , Feng Yurou , Gao Pingzhang , Lv Fengjiao , Guo Xiaoyun , Xie Xiaolan
Published: September 2023

A fast and facile protocol for the sulfenylative spirocyclization of biaryl ynones employing PIFA under mild conditions is reported. A range of sulfenylated spiro[5.5]trienones were obtained in moderate to good yields. This transformation involves a radical process via a 6‐exo‐trig dearomative spirocyclization procedure. This method can be extended to the synthesis of selenium or tellurium‐substituted spiro[5.5]trienone.
LiGa(IO3)4: An Excellent NLO Material with Unprecedented 2D [Ga(IO3)4]∞− Layer Synthesized by Aliovalent Substitution
Authors: Yang Shuoxing , Wu Hongping , Hu Zhanggui , Wang Jiyang , Wu Yicheng , Yu Hongwei
Published: September 2023

Nonlinear optical (NLO) crystals are indispensable for the solid‐state lasers for their ability to expand wavelength spectral to the regions where the directing lasing is difficult or even impossible, yet the rational design of a high‐performance NLO crystal remains a great challenge owing to the severe structural and properties’ requirements. Herein, a new noncentrosymmetric (NCS) and polar gallium iodate, LiGa(IO3)4, with a novel 2D anionic layer, is successfully designed and synthesized by the aliovalent substitution strategy based on classic α‐LiIO3. The 2D [Ga(IO3)4]∞− layer in LiGa(IO3)4 is built from the GaO6 octahedra and highly polarizable units IO3. Compared with its parent compound, the partial replacement of A‐site Li+ cation with main group Ga3+ cation facilitates LiGa(IO3)4 to possess excellent NLO properties, including the large second‐harmonic generation (SHG) response (14 × KH2PO4 (KDP) @ 1064 nm), wide bandgap (4.25 eV), large birefringence (0.23 @ 1064 nm), and wide optical transparency from UV to mid‐IR. These reveal that LiGa(IO3)4 will be a promising NLO crystal.
Diary of a parliamentary intern: what's next for the Kept Animals Bill measures?
Authors: Davenport Harriet
Published: September 2023

Vet and parliamentary intern to Lord Trees Harriet Davenport gives an update on what the government plans to do next with parts of the much‐debated and now withdrawn Kept Animals Bill.
A generalized dominance ordering for 1/2-BPS states
Authors: Kemp Garreth
Published: September 2023

Abstract

We discuss a generalized dominance ordering for irreducible representations of the symmetric group Sn with the aim of distinguishing the corresponding states in the 1/2-BPS sector of U(N) Super Yang-Mills theory when a certain finite number of Casimir operators are known. Having knowledge of a restricted set of Casimir operators was proposed as a mechanism for information loss in this sector and its dual gravity theory in AdS5 × S5. It is well-known that the states in this sector are labeled by Young diagrams with n boxes. We propose a generalization of the well-known dominance ordering of Young diagrams. Using this generalization, we posit a conjecture to determine an upper bound for the number of Casimir operators needed to distinguish between the 1/2-BPS states and thus also between their duals in the gravity theory. We offer numerical and analytic evidence for the conjecture. Lastly, we discuss implications of this conjecture when the energy n of the states is asymptotically large.
Topography optimisation using a reduced-dimensional model for convective heat transfer between plates with varying channel height and constant temperature
Authors: Sun Yupeng , Yao Song , Alexandersen Joe
Published: September 2023

This paper proposes a reduced-dimensional model for the structural optimisation of conjugate heat transfer between parallel plates with constant temperature and a fluid channel of varying height. The model considers heat conduction and convection through a planar reduced-dimensional version of the convection-diffusion equation. To significantly reduce the computational time for the optimisation process, assumptions on the through-thickness velocity and temperature fields are made, allowing to transform a three-dimensional problem to a two-dimensional one. The accuracy and limitations of the model are investigated through an in-depth parametric analysis and are seen to be acceptable in the context of optimisation when considering the reduced computational cost. To allow for the optimisation of varying topology and topography, the local channel height is linearly interpolated based on the design field. The height parametrisation combined with the reduced-dimensional model provides physical meaning to intermediate design variables and removes the traditional requirement of 0–1 discrete solutions for topology optimisation. This allows the free switch between topology and topography optimisation, but it is illustrated through various examples that only topography changes are relevant for the treated problems. Two optimisation examples, a square heat exchanger and a manifold heat exchanger, demonstrate that the reduced-dimensional model is sufficiently accurate to be applied to structural optimisation. In comparison with shape optimisation using a full three-dimensional model, it is demonstrated that topography optimisation using the reduced-dimensional model can achieve equivalent optimised designs at a significantly lower computational cost.

Graphical abstract
A Hilbertian projection method for constrained level set-based topology optimisation
Authors: Wegert Zachary J. , Roberts Anthony P. , Challis Vivien J.
Published: September 2023

We present an extension of the projection method proposed by Challis et al. (Int J Solids Struct 45(14–15):4130–4146, 2008) for constrained level set-based topology optimisation that harnesses the Hilbertian velocity extension-regularisation framework. Our Hilbertian projection method chooses a normal velocity for the level set function as a linear combination of (1) an orthogonal projection operator applied to the extended optimisation objective shape sensitivity and (2) a weighted sum of orthogonal basis functions for the extended constraint shape sensitivities. This combination aims for the best possible first-order improvement of the optimisation objective in addition to first-order improvement of the constraints. Our formulation utilising basis orthogonalisation naturally handles linearly dependent constraint shape sensitivities. Furthermore, use of the Hilbertian extension-regularisation framework ensures that the resulting normal velocity is extended away from the boundary and enriched with additional regularity. Our approach is generally applicable to any topology optimisation problem to be solved in the level set framework. We consider several benchmark constrained microstructure optimisation problems and demonstrate that our method is effective with little-to-no parameter tuning. We also find that our method performs well when compared to a Hilbertian sequential linear programming method.
Trait sensitivity to positive feedback is a predisposing factor for several aspects of compulsive alcohol drinking in male rats: behavioural, physiological, and molecular correlates
Authors: Cieslik-Starkiewicz Agata , Noworyta Karolina , Solich Joanna , Korlatowicz Agata , Faron-Górecka Agata , Rygula Rafal
Published: September 2023

Introduction

Alcohol use disorder (AUD) is one of the most common psychiatric disorders and a leading cause of mortality worldwide. While the pathophysiology underlying AUD is relatively well known, the cognitive mechanisms of an individual’s susceptibility to the development of alcohol dependence remain poorly understood. In this study, we investigated the theoretical claim that sensitivity to positive feedback (PF), as a stable and enduring behavioural trait, can predict individual susceptibility to the acquisition and maintenance of alcohol-seeking behaviour in rats.

Methods

Trait sensitivity to PF was assessed using a series of probabilistic reversal learning tests. The escalation of alcohol intake in rats was achieved by applying a mix of intermittent free access and instrumental paradigms of alcohol drinking. The next steps included testing the influence of sensitivity to PF on the acquisition of compulsive alcohol-seeking behaviour in the seeking-taking punishment task, measuring motivation to seek alcohol, and comparing the speed of extinction and reinstatement of alcohol-seeking after a period of abstinence between rats expressing trait insensitivity and sensitivity to PF. Finally, trait differences in the level of stress hormones and in the expression of genes and proteins in several brain regions of interest were measured to identify potential physiological and neuromolecular mechanisms of the observed interactions.

Results

We showed that trait sensitivity to PF in rats determines the level of motivation to seek alcohol following the experience of its negative consequences. They also revealed significant differences between animals classified as insensitive and sensitive to PF in their propensity to reinstate alcohol-seeking behaviours after a period of forced abstinence. The abovementioned effects were accompanied by differences in blood levels of stress hormones and differences in the cortical and subcortical expression of genes and proteins related to dopaminergic, serotonergic, and GABAergic neurotransmission.

Conclusion

Trait sensitivity to PF can determine the trajectory of alcohol addiction in rats. This effect is, at least partially, mediated via distributed physiological and molecular changes within cortical and subcortical regions of the brain.
Preoperative word-finding difficulties in children with posterior fossa tumours: a European cross-sectional study
Authors: Persson K. , Boeg Thomsen D. , Fyrberg Å. , Castor C. , Aasved Hjort M. , Andreozzi B. , Grillner P. , Kjær Grønbæk J. , Jakus J. , Juhler M. , Mallucci C. , Mathiasen R. , Molinari E. , Pizer B. , Sehested A. , Troks-Berzinskiene A. , van Baarsen K. , Tiberg I. ,   The CMS study group
Published: September 2023

Purpose

Posterior fossa tumour surgery in children entails a high risk for severe speech and language impairments, but few studies have investigated the effect of the tumour on language prior to surgery. The current crosslinguistic study addresses this gap. We investigated the prevalence of preoperative word-finding difficulties, examined associations with medical and demographic characteristics, and analysed lexical errors.

Methods

We included 148 children aged 5–17 years with a posterior fossa tumour. Word-finding ability was assessed by means of a picture-naming test, Wordrace, and difficulties in accuracy and speed were identified by cut-off values. A norm-based subanalysis evaluated performance in a Swedish subsample. We compared the demographic and medical characteristics of children with slow, inaccurate, or combined slow and inaccurate word finding to the characteristics of children without word-finding difficulties and conducted a lexical error analysis.

Results

Thirty-seven percent (n = 55) presented with slow word finding, 24% (n = 35) with inaccurate word finding, and 16% (n = 23) with both slow and inaccurate word finding. Children with posterior fossa tumours were twice as slow as children in the norming sample. Right-hemisphere and brainstem location posed a higher risk for preoperative word-finding difficulties, relative to left-hemisphere location, and difficulties were more prevalent in boys than in girls. The most frequent errors were lack of response and semantically related sideordinated words.

Conclusion

Word-finding difficulties are frequent in children with posterior fossa tumours, especially in boys and in children with right-hemisphere and brainstem tumours. Errors resemble those observed in typical development and children with word-finding difficulties.
Transcranial alternating current stimulation in affecting cognitive impairment in psychiatric disorders: a review
Authors: Biačková Nina , Adamová Andrea , Klírová Monika
Published: September 2023

Transcranial alternating current stimulation (tACS) is a non-invasive brain stimulation method that, through its manipulation of endogenous oscillations, can affect cognition in healthy adults. Given the fact that both endogenous oscillations and cognition are impaired in various psychiatric diagnoses, tACS might represent a suitable intervention. We conducted a search of Pubmed and Web of Science databases and reviewed 27 studies where tACS is used in psychiatric diagnoses and cognition change is evaluated. TACS is a safe and well-tolerated intervention method, suitable for multiple-sessions protocols. It can be administered at home, individualized according to the patient'’s anatomical and functional characteristics, or used as a marker of disease progression. The results are varying across diagnoses and applied protocols, with some protocols showing a long-term effect. However, the overall number of studies is small with a great variety of diagnoses and tACS parameters, such as electrode montage or used frequency. Precise mechanisms of tACS interaction with pathophysiological processes are only partially described and need further research. Currently, tACS seems to be a feasible method to alleviate cognitive impairment in psychiatric patients; however, a more robust confirmation of efficacy of potential protocols is needed to introduce it into clinical practise.
Efgartigimod beyond myasthenia gravis: the role of FcRn-targeting therapies in stiff-person syndrome
Authors: Di Stefano Vincenzo , Alonge Paolo , Rini Nicasio , Militello Massimiliano , Lupica Antonino , Torrente Angelo , Brighina Filippo
Published: September 2023

Stiff-person syndrome (SPS) is a rare autoimmune neurological disorder characterized by high titers of antibodies against glutamic acid decarboxylase (GAD) causing impaired GABAergic inhibitory neurotransmission. To date, there is not a defined therapy for such condition, but immunomodulating therapies, such as plasma exchange, intravenous immunoglobulins, and rituximab, have been widely used in clinical practice. However, the efficacy and tolerability of these treatments is not well established. Efgartigimod, a new neonatal Fc receptor (FcRn) blocker, is a human IgG1 antibody Fc fragment engineered with increased affinity for FcRn binding, leading to a reduction in IgGs levels, including pathogenic IgG autoantibody showing promising results in neurological autoimmune disorders and has been approved for the treatment of AChR-seropositive generalized myasthenia gravis (MG). In this study, we report and describe the first data on treatment with efgartigimod in three patients affected by both AChR-seropositive generalized MG and anti-GAD-seropositive SPS. Patients were followed since the start of efgartigimod and for the whole treatment period (12 weeks). MG symptoms were assessed with the “MG activity of daily living score” and the Quantitative Myasthenia Gravis score, while SPS ones were assessed with the “SPS activity of daily living score”; muscle strength was assessed with the Medical Research Council Sum score; the overall disability from MG and SPS was assessed by the modified Rankin Scale. All patients showed an improvement in symptoms of both SPS and MG after 2 cycles of treatment. Our data suggest that efgartigimod may be considered as a candidate drug for SPS and other autoantibody-mediated neurological disorders.
Sequence variations associated with novel purple-pericarp super-sweetcorn compared to its purple-pericarp maize and white super-sweetcorn parents
Authors: Anirban Apurba , Masouleh Ardashir Kharabian , Henry Robert J. , O’Hare Tim J.
Published: September 2023

Recently, a novel purple-pericarp super-sweetcorn line, ‘Tim1’ (A1A1.sh2sh2) was derived from the purple-pericarp maize ‘Costa Rica’ (A1Sh2.A1Sh2) and white shrunken2 (sh2) super-sweetcorn ‘Tims-white’ (a1sh2.a1sh2), however, information regarding anthocyanin biosynthesis genes controlling purple colour and sweetness gene is lacking. Specific sequence differences in the CDS (coding DNA sequence) and promoter regions of the anthocyanin biosynthesis structural genes, anthocyanin1 (A1), purple aleurone1 (Pr1) and regulatory genes, purple plant1 (Pl1), plant colour1 (B1), coloured1 (R1), and the sweetcorn structural gene, shrunken2 (sh2) were investigated using the publicly available annotated yellow starchy maize, B73 (NAM5.0) as a reference genome. In the CDS region, the A1, Pl1 and R1 gene sequence differences of ‘Tim1’ and ‘Costa Rica’ were similar, as they control purple-pericarp pigmentation. However, the B1 gene showed similarity between the ‘Tim1’ and ‘Tims-white’ lines, which may indicate that it does not have a role in controlling pericarp colour, unlike the report of a previous study. In the case of the Pr1 gene, in contrast to ‘Costa Rica’, 6- and 8-bp dinucleotide (TA) repeats were observed in the promoter region of the ‘Tims-white’ and ‘Tim1’ lines, respectively, indicating the defective functionality (redder colour in ‘Tim1’ rather than purple in ‘Costa Rica’) of the recessive pr1 allele. In sweetcorn, the structural gene (sh2), sequence showed similarity between purple-sweet ‘Tim1’ and its white-sweet parent ‘Tims-white’, as both display a shrunken phenotype in their mature kernels. These findings revealed that the developed purple-sweet line is different to the reference yellow-nonsweet line in both the anthocyanin biosynthesis and sweetcorn genes.
Development of a volcanic risk management system at Mount St. Helens—1980 to present
Authors: Wright Heather M. N. , Driedger Carolyn L. , Pallister John S. , Newhall Christopher G. , Clynne Michael A. , Ewert John W.
Published: September 2023

Here, we review volcanic risk management at Mount St. Helens from the perspective of the US Geological Survey’s (USGS) experience over the four decades since its 18 May 1980 climactic eruption. Prior to 1980, volcano monitoring, multidisciplinary eruption forecasting, and interagency coordination for eruption response were new to the Cascade Range. A Mount St. Helens volcano hazards assessment had recently been published and volcanic crisis response capabilities tested during 1975 thermal unrest at nearby Mount Baker. Volcanic unrest began in March 1980, accelerating the rate of advance of volcano monitoring, prompting coordinated eruption forecasting and hazards communication, and motivating emergency response planning. The destruction caused by the 18 May 1980 eruption led to an enormous emergency response effort and prompted extensive coordination and planning for continuing eruptive activity. Eruptions continued with pulsatory dome growth and explosive eruptions over the following 6 years and with transport of sediment downstream over many more. In response, USGS scientists and their partners expanded their staffing, deployed new instruments, developed new tools (including the first use of a volcanic event tree) for eruption forecasting, and created new pathways for agency internal and external communication. Involvement in the Mount St. Helens response motivated the establishment of response measures at other Cascade Range volcanoes. Since assembly during the early and mid-1990s, volcano hazard working groups continue to unite scientists, emergency and land managers, tribal nations, and community leaders in common cause for the promotion of risk reduction. By the onset of renewed volcanic activity in 2004, these new systems enabled a more efficient response that was greatly facilitated by the participation of organizations within volcano hazard working groups. Although the magnitude of the 2004 eruptive sequence was much smaller than that of 1980, a new challenge emerged focused on hazard communication demands. Since 2008, our understanding of Mount St. Helens volcanic system has improved, helping us refine hazard assessments and eruption forecasts. Some professions have worked independently to apply the Mount St. Helens story to their products and services. Planning meetings and working group activities fortify partnerships among information disseminators, policy and decision-makers, scientists, and communities. We call the sum of these pieces the Volcanic Risk Management System (VRMS). In its most robust form, the VRMS encompasses effective production and coordinated exchange of volcano hazards and risk information among all interested parties.
Blast-Fragmentation Prediction Derived From the Fragment Size-Energy Fan Concept
Authors: Sanchidrián José A. , Ouchterlony Finn
Published: September 2023

The size-energy fan concept formulation is developed into a prediction model of the fragment size distribution from blast design and rock mass variables. The fragment size is scaled with a characteristic size of the blast and the rock mass discontinuity spacing and orientation. The energy is scaled with the rock strength and the cooperation degree between adjacent holes. A cooperation function is introduced that modifies the energy with the in-row delay, non-dimensionalized with the P-wave velocity and the holes spacing. The cooperation increases as the delay increases up to a certain value, beyond which the cooperation decreases and the fragmentation is coarser. Several prediction models are presented, using the Swebrec-based fan slopes function of the percent passing as starting point, with subsequent improvements involving alternative formulations of that function, that encompass a non-Swebrec underlying distribution of the fragment size. The models include 12 to 14 parameters, controlling the effect on fragmentation of the variables describing the rock mass, the explosive and initiation sequence, and the blast geometry. The parameters are determined from fits to the data base that was used for the xP-frag model, expanded with seventeen additional blasts. All fragmentation data used are mass size distributions determined by sieving and weighing of blasted muckpiles. The different models are introduced sequentially and discussed. The models presented improve the performance of xP-frag, while including a much smaller number of parameters and, unlike xP-frag, keeping the physically sound size-energy fan pattern, effectively extending its nature from a descriptive frame of the fragmentation-energy relations, to a predictive tool.