bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental Investigation of Seismic Vulnerability of Braces under Hazard Consistent loading sequences
Authors: Patra Pratik , Sahoo Dipti Ranjan , Jain Arvind Kumar 
Published: September 2023

AbstractIn the last ten years, Chile and Japan have experienced several subduction earthquakes that lasted for extended periods of time. These occurrences have emphasized the need for a thorough examination of how the duration of ground motion impacts the performance of the components of the lateral load resisting system. In the present study, three large‐scale experiments were conducted on the wide‐flange brace member to evaluate the seismic vulnerability of the braces under the hazard consistent loading protocol. The loading sequences consider in the study are standard symmetric cyclic loading sequences, collapse‐consistent loading sequences representing subduction zone tension dominated and collapse‐consistent loading sequences representing subduction zone compression dominated. The subassemblage test‐set‐up was taken in the study to consider the effect of the end‐protect zone on the seismic assessments of the brace members. The evolution of strain at the mid‐section of the brace member is observed to be higher in case of the standard loading sequences as compared to the subduction zone loading sequences. The post yielding stiffness and the collapse resistance of the brace member under the subduction zone earthquake are present. The damage state of the open section brace member and evolution of the local bucking at the mid of the brace member were discussed. It is observed that open section delays the accumulation of strain at brace member and delay the fracture initiation. The ductility of the different brace members is compared to highlight the influence of the cross‐section properties of the brace on the ductility of the braced system.
Alternating Stereospecificity upon Central‐Atom Change: Dynamics of the F−+PH2Cl SN2 Reaction Compared to its C‐ and N‐Centered Analogues
Authors: Giricz Anett , Czakó Gábor , Papp Dóra 
Published: September 2023

AbstractCentral‐atom effects on bimolecular nucleophilic substitution (SN2) reactions are well‐known in chemistry, however, the atomic‐level SN2 dynamics at phosphorous (P) centers has never been studied. We investigate the dynamics of the F−+PH2Cl reaction with the quasi‐classical trajectory method on a novel full‐dimensional analytical potential energy surface fitted on high‐level ab initio data. Our computations reveal intermediate dynamics compared to the F−+CH3Cl and the F−+NH2Cl SN2 reactions: phosphorus as central atom leads to a more indirect SN2 reaction with extensive complex‐formation with respect to the carbon‐centered one, however, the title reaction is more direct than its N‐centered pair. Stereospecificity, characteristic at C‐center, does not appear here either, due to the submerged front‐side‐attack retention path and the repeated entrance‐channel inversional motion, whereas the multi‐inversion mechanism discovered at nitrogen center is also undermined by the deep Walden‐well. At low collision energies, 6 % of the PH2F products form with retained configuration, mostly through complex‐mediated mechanisms, while this ratio reaches 24 % at the highest energy due to the increasing dominance of the direct front‐side mechanism and the smaller chance for hitting the deep Walden‐inversion minimum. Our results suggest pronounced central‐atom effects in SN2 reactions, which can fundamentally change their (stereo)dynamics.
Tracking SF5I in the Iodopentafluorosulfanylation of Alkynes
Authors: Nguyen Thi Mo , Legault Claude Y. , Blanchard Nicolas , Bizet Vincent , Cahard Dominique 
Published: September 2023

AbstractIn the vibrant field of SF5 chemistry, SF5X reagents (X=F, Cl, Br) are at the heart of current investigations in radical pentafluorosulfanylation reactions. SF5I is the missing link whose existence has not been reported despite its potential as SF5 donor. This study reports the formal addition of the hitherto unknown SF5I reagent to alkynes by means of a combination of SF5Cl/KI/18‐crown‐6 ether. The exclusive regio‐ and stereoselective synthesis of unprecedented (E)‐1‐iodo‐2‐(pentafluoro‐λ6‐sulfanyl) alkenes was achieved. A consensus was reached through computational and mechanistic studies for the realistic formation of SF5− anion but not SF5I in solution and the rational involvement of SF5⋅ and iodine radicals in the iodo pentafluorosulfanylation reaction.
Treatment of textile dye wastewater by peroxymonosulfate activation using facilely prepared Fe3O4@TiO2 heterogeneous photocatalyst
Authors: Thuy Nguyen Thi , Tien Nguyen Thi Cam , Anh Huynh Ngoc Chau , Hoang Ngo Du Thai , Dung Nguyen Trung , Huyen Trinh Thi Bich , Thuy Vo Thi Thanh , Hien Lam Pham Thanh , Van Thanh Dang , Huy Nguyen Nhat 
Published: September 2023

AbstractIn this study, Fe3O4@TiO2 was synthesized by a facile precipitation–impregnation method and applied as a magnetic photocatalyst for degrading synthetic and actual textile dyeing wastewater in the presence of peroxymonosulfate (PMS). In Rhodamine B (RhB) degradation, the removal efficiency reached 99.86% (for RhB) and 93.67% (for color) under optimal operating conditions of 80 mg L–1 RhB, 0.5 g L–1 PMS, 0.5 g L–1 Fe3O4@TiO2, at pH 6, and after 30 min of UVA irradiation. The influence levels of anions on the RhB removal and decolorization were in the order of Cl− < SO42− < CO32− < PO43−. In addition, the Fe3O4@TiO2 composite exhibited good applicability for treating other dyes (e.g., 99.6% of tartrazine and 60.3% of methylene blue after 30 min) in water and actual textile dyeing wastewater with high color (70.3% after 5 min) and COD removal (71.4% after 120 min). The radical scavenging tests indicated the role of reactive oxygen species in the order of O2•− ∼ 1O2 > h+ > SO4•− > HO• for RhB degradation but O2•− > h+ > 1O2 > SO4•− > HO• for decolorization. These results suggest the potential application of PMS activation using Fe3O4@TiO2 in the photocatalytic treatment of textile and dyeing wastewater with the dominant role of O2•−.
Antimalarial Agents Targeting Plasmodium falciparum Carbonic Anhydrase: Towards Artesunate Hybrid Compounds with Dual Mechanism of Action
Authors: D'Agostino Ilaria , Zara Susi , Carradori Simone , De Luca Viviana , Capasso Clemente , Kocken Clemens H. M. , Zeeman Anne‐Marie , Angeli Andrea , Carta Fabrizio , Supuran Claudiu T. 
Published: September 2023

AbstractMalaria continues to be a major public health challenge worldwide and, as part of the global effort toward malaria eradication, plasmodium carbonic anhydrases (CAs) have recently been proposed as potential targets for malaria treatment. In this study, a series of eight hybrid compounds combining the Artesunate core with a sulfonamide moiety were synthesized and evaluated for their inhibition potency against the widely expressed human (h) CAs I, II and the isoform from P. falciparum (PfCA). All derivatives demonstrated high inhibition potency against PfCA, achieving a KI value in the sub‐nanomolar range (0.35 nM). Two Compounds showed a selectivity index of 4.1 and 3.1, respectively, against this protozoan isoform compared to hCA II. Three Derivatives showed no cytotoxic effects on human gingival fibroblasts at 50 μM with a high killing rate against both P. falciparum and P. knowlesi strains with IC50 in the sub‐nanomolar range, providing a wide therapeutic window. Our findings suggest that these compounds may serve as promising leads for developing new antimalarial drugs and warrant further investigation, including activity against antimalarial‐resistant strains, mode of action studies, and in vivo efficacy assessment in preclinical mouse models of malaria.
Magnetic slowdown of topological edge states
Authors: Bal Guillaume , Becker Simon , Drouot Alexis 
Published: September 2023

AbstractWe study the propagation of wavepackets along curved interfaces between topological, magnetic materials. Our Hamiltonian is a massive Dirac operator with a magnetic potential. We construct semiclassical wavepackets propagating along the curved interface as adiabatic modulations of straight edge states under constant magnetic fields. While in the magnetic‐free case, the wavepackets propagate coherently at speed one, here they experience slowdown, dispersion, and Aharonov–Bohm effects. Several numerical simulations illustrate our results.
Early career primary teachers' curriculum‐making experiences: Enablers and constraints to knowledge‐led forms of curriculum‐making
Authors: Poulton Phillip , Mockler Nicole 
Published: September 2023

AbstractWith global trends focussed on standardisation of curriculum and increased teacher accountability, it has become commonplace for curriculum to be viewed simplistically as a product. While all teachers engage in forms of classroom curriculum‐making, questions remain as to what this looks like within an educational landscape that continues to portray teaching as a purely technical activity. This paper explores two Australian early career primary teachers' experiences of curriculum‐making, drawing attention to the enabling and constraining conditions which shape such experiences. We consider the impact of these enabled and constrained experiences on early career teachers' aspirations and ongoing development as knowledge‐led curriculum‐makers. We contend that such constrained experiences limit opportunities for early career teachers to develop professional identities as knowledge‐led curriculum‐makers and continue to reinforce unhelpful representations of teachers as ‘technicians’.
A comparison of digestive strategies for fishes with different feeding habits: Digestive enzyme activities, intestinal morphology, and gut microbiota
Authors: Jiao Fang , Zhang Lei , Limbu Samwel Mchele , Yin Hong , Xie Yuqing , Yang Zihan , Shang Zongmin , Kong Lingfu , Rong Hua 
Published: September 2023

AbstractFish feeding habit determines the digestive tract structure and intestinal microflora. However, the relationship between feeding habit, digestive intestinal morphology, and microbial diversity of omnivorous, herbivorous, plankton feeder, and carnivorous fish from the same environment has not been compared. This study compared the digestive enzyme activities, intestinal morphology, and intestinal microflora of omnivorous (Carassius auratus), herbivorous (Ctenopharyngodon idellus), carnivorous (Siniperca chuatsi), and plankton feeder (Schizothorax grahami) fishes and predicted the potential functions of specific microflora on different nutrients. Twelve intestine samples were collected from each of the four fishes from Dianchi Lake. The composition and diversity of microbial communities were determined by using high‐throughput sequencing of 16S rDNA. The results showed that the carnivorous fish (S. chuatsi) had higher trypsin and pancrelipase activities in the hepatopancreas and enteropeptidase in the intestine, but lower amylase activities in the intestine. The carnivorous fish intestine had more microvilli branches and complex structures than other fish species in the order carnivorous > herbivorous > plankton feeder > omnivorous. The intestinal microflora diversity was higher in the omnivorous fish and followed the order omnivorous > herbivorous > plankton feeder > carnivorous. Acinetobacter species and Bacteroides species were the most dominant flora in the carnivorous and herbivorous fishes, respectively. Acinetobacter species and Pseudomonas species might help the host to digest protein, while Bacteroidetes species may help the host to digest cellulose. Taken together, feeding habit determines the digestive enzyme activities, intestinal tissue morphology, and differential colonization of fish intestinal flora. The knowledge obtained is useful in feed formulation and feeding practices for the studied fish species.
Genetic structure shows the presence of small‐scale management units in a relict tree species
Authors: Li Yuan‐Yuan , Cui Min‐Yan , Le Xiao‐Wei , Gong Jun , Jiang Kai , Tong Xin , Zhang Qian , Li Jia‐Hui , Li Hong‐Yue , Lu Ling , Zou Jie , Wang Rong , Chen Xiao‐Yong 
Published: September 2023

AbstractIdentifying conservation units is crucial for the effective conservation of threatened species. Previous cases are almost exclusively based on large‐scale but coarse sampling for genetic structure analyses. Significant genetic structure can occur within a small range, and thus multiple conservation units may exist in narrowly distributed plants. However, small‐scale genetic structure is often overlooked in conservation planning especially for wind‐pollinated and wind‐dispersed trees, largely due to the absence of dense and elaborate sampling. In this study, we focused on a representative endangered relict plant,Metasequoia glyptostroboides. Using both nuclear microsatellites (nSSRs) and chloroplast DNA (cpDNA) fragments, we sampled across the narrow distribution range of this species and determined its conservation units by exploring its genetic structure and historical demography. cpDNA haplotypes were classified into two groups, but mixed in space, suggesting that the existent wild trees ofM. glyptostroboidescannot be divided into different evolutionarily significant units. However, using nSSRs, we detected strong spatial genetic structure, with significant genetic differentiation and weak gene flow between the samples in the east of the species' distribution range and other samples. The divergence between the two nSSR groups was dated to the Last Glacial Maximum (c. 19.6 kya), suggesting that such spatial genetic structure has been maintained for a long term. Therefore, these two nSSR groups should be considered as different conservation units, that is, management units, to protect intergroup genetic variations, which is likely to be the outputs of local adaptation. Our findings highlight the necessity to reveal small‐scale genetic structure and population demography to improve the conservation strategies of evolutionary potential of endangered plants.
Host‐associated genetic differentiation and origin of a recent host shift in the generalist parasitic weed Phelipanche ramosa
Authors: Le Corre Valérie , Reibel Carole , Kati Vaya , Gibot‐Leclerc Stéphanie 
Published: September 2023

AbstractBranched broomrape, Phelipanche ramosa (L.) Pomel, is a globally distributed parasitic weed of economic importance. In Europe, where it is native, it can infest several crops, notably tomato, tobacco, and hemp. In western France, it has recently adapted to a new host crop, oilseed rape, causing substantial damage. The aim of this study was to investigate the evolutionary relationships and genetic differentiation among P. ramosa populations infesting different hosts. We collected 1611 P. ramosa samples from 109 fields cultivated with six different crops (oilseed rape, tobacco, hemp, tomato, lentil, and celery) and distributed among six European countries. All samples were genotyped for ten microsatellite loci and a subset of samples was sequenced for two nuclear genes and two chloroplast genes. Genetic differentiation among populations was high (FST = 0.807) and mainly driven by differentiation among different host crops, with no significant geographic structure. Genetic structure analysis identified up to seven biologically meaningful clusters that matched with host crops of origin. Reconstructed networks of sequence haplotypes and multilocus SSR genotypes showed a large genetic divergence between samples collected on oilseed rape and samples collected on other crops. The phylogeny inferred from DNA sequences placed samples collected from oilseed rape as a basal lineage. Approximate Bayesian Computations were used to compare different evolutionary scenarios of divergence among the three main genetic clusters, associated, respectively, with oilseed rape, tobacco, and hemp as host crops. The best‐supported scenario indicated that P. ramosa infesting oilseed rape derived recently from an ancient, unknown lineage. Our results suggest that a more complete description of the genetic diversity of P. ramosa is still needed to uncover the likely source of the recent adaptation to oilseed rape and to anticipate future new host shifts.
Advances in the natural α‐glucosidase inhibitors
Authors: Şöhretoğlu Didem , Renda Gülin , Arroo Randolph , Xiao Jianbo , Sari Suat 
Published: September 2023

Abstractα‐Glucosidase (AG) inhibitors, one of the classes of oral antidiabetics used to treat type 2 diabetes mellitus, delay digestion and absorption of glucose, which in turn, has a lowering effect on postprandial blood glucose and insulin levels. Natural products are a great source for the development of new AG inhibitory drug candidates. We aim to summarize advances in natural AG inhibitors according to their secondary metabolite groups in the last decade. Their mechanisms of action and structure–activity relationships will especially be discussed.
Meta‐Ortho Effect on the Excited State Pathways of Chloroanilines
Authors: Nitu Cristina , van der Wal Jacob Jan , Kaul Nidhi , Steen Jorn D. , Hammarström Leif , Fagnoni Maurizio , Crespi Stefano 
Published: September 2023

AbstractDirect excitation of aromatic compounds grants access to high‐energy intermediates that can be utilised in organic synthesis. Understanding and predicting the substituent effects at the excited state for aromatic molecules remains challenging for the synthetic photochemist. In this work, we present an experimental and computational investigation of the excited state of the isomeric chloroanilines, which promptly react by losing the chloride when the amino group is in para position, but are non‐reactive and non‐emissive in the meta and ortho isomers. XMS‐CASPT2//CASSCF computations explain this apparent contradiction of the meta‐ortho selectivity rule of Zimmerman, which originates from the substituent effects lowering to a different extent the barrier to populate the prefulvenic conical intersection that deactivates non‐radiatively the singlet excited state of the chloroanilines.
Simultaneous detection of trace Pb(II) and Cd(II) cations in ore samples by anodic stripping analysis using pMO/erGO‐modified glassy carbon electrodes
Authors: Diédhiou Ismaila , Sebei Abdelaziz , Fall Modou , Aoun Sami Ben , Zarrougui Ramzi , Raouafi Noureddine 
Published: September 2023

AbstractEnvironmental safety is of paramount importance for human well‐being, imposing significant demands for affordable, rapid, portable, and robust analytical tools for real‐time and on‐site water monitoring. In this context, we have developed an analytical method to efficiently detect heavy metal ions, particularly Pb2+ ions, in water samples. This method employs a stepwise‐prepared electrode comprised of a thin film of poly(methyl orange) (pMO) electrochemically deposited onto reduced graphene oxide (erGO), which is in turn coated on a glassy carbon electrode (GCE). The resulting pMO/erGO/GCE electrode was characterized using Raman spectroscopy, scanning electron microscopy (SEM), and electrochemical techniques. Square wave anodic stripping voltammetry (SWASV) was subsequently employed to detect the target ions. Importantly, the pMO/erGO/GCE electrode exhibits excellent analytical performance, featuring a broad linear concentration range spanning from 14 to 595 parts per billion (ppb), a sensitivity of 5.60 μA ppb−1 cm−2, and a theoretical calculated value of the detection limit of 0.82 ppb. The effectiveness of this sensor was validated through successful testing of aqueous samples from dissolved ores containing both lead(II) and cadmium(II) cations, as determined by atomic absorption spectroscopy.
Structural control of bedrock river alignment and morphology in the Fraser Canyon, British Columbia, Canada
Authors: Curran Michael , Steelquist Aaron T. , Larimer Jeff , Seagren Erin , Li Tingan , Heathfield Derek , Menounos Brian , Clague John J. , Church Michael , Venditti Jeremy G. 
Published: September 2023

AbstractMany rivers worldwide follow faults because they exploit bedrock damage that occurs in fault zones. However, there has been no quantitative investigation of how closely rivers follow specific faults within a fault zone. Analysis of the Fraser River in southwestern British Columbia reveals the degree of alignment of individual bedrock‐bound canyon reaches with lineaments of the Fraser River Fault. The alignment of the river at the regional scale is controlled by the Fraser River Fault zone, but individual canyons align with subsidiary faults that are visible in elevation data or predicted by the geometry and kinematics of the main fault. We hypothesize canyon reaches that deviate from faults were shifted by large episodic sediment input, creating epigenetic canyons.
Asparagine and nitric oxide jointly enhance antioxidant capacity and nitrogen metabolism to improve drought resistance in cotton: Evidence from long‐term field trials
Authors: Akin Sabri , Kaya Cengiz 
Published: September 2023

AbstractAsparagine (Asn) and nitric oxide (NO) can enhance plant tolerance to abiotic stress, but their interaction is not well understood. Cotton is a vital resource for the textile industry, but its yield is reduced by drought stress, which could threaten its global supply in a warming and stressful world. Improving cotton's drought tolerance is crucial for supporting the textile industry. Two simultaneous field experiments were conducted to study the effect of Asn and sodium nitroprusside (SNP), a NO donor, on cotton's drought tolerance. Two irrigation treatments were applied: control (C: 100% A pan) and drought stress (50% A pan). The plants were also sprayed with two plant stimulants before imposing drought stress: Mock control, 20 mM Asn, and 0.2 mM SNP, either alone or together. Drought stress impaired plant growth, photosynthesis, yield, nitrogen metabolism, and antioxidant defense, while increasing oxidative stress and free amino acid levels. However, Asn and SNP treatments alleviated these negative effects and improved antioxidant enzyme activity, plant growth, yield, and nitrogen content. The Asn + SNP treatment also increased irrigation water productivity under water‐limited conditions, suggesting its potential for enhancing water use efficiency in cotton production. The combined treatment was more effective than the single treatments, indicating a synergistic effect of Asn and SNP in enhancing drought tolerance in cotton. These results imply that Asn and SNP could be useful tools for sustaining cotton production under drought conditions by boosting nitrogen metabolism and antioxidant defense, thereby contributing to the global supply of cotton and supporting the textile industry.
A multivariate GARCH–jump mixture model
Authors: Li Chenxing , Maheu John M. 
Published: September 2023

AbstractThis paper proposes a new parsimonious multivariate GARCH–jump (MGARCH–jump) mixture model with multivariate jumps that allows both jump sizes and jump arrivals to be correlated among assets. Dependent jumps impact the conditional moments of returns and beta dynamics of a stock. Applied to daily stock returns, the model identifies co‐jumps well and shows that both jump arrivals and jump sizes are highly correlated. The jump model has better out‐of‐sample forecasts compared with a benchmark multivariate GARCH model.
Liquidity premiums, interest rate differentials, and nominal exchange rate prediction
Authors: Wang Yi‐Chiuan , Wu Jyh‐Lin 
Published: September 2023

AbstractWith the use of daily panel data for industrial countries, we study the essentialness of liquidity premiums and interest rate differentials in predicting nominal exchange rates at short horizons. We find that information about higher‐order moments of exchange rates helps predict nominal exchange rates. Before the global financial crisis, interest rate differentials were crucial for forecasting exchange rates. Interest rate differentials and liquidity premia provide additional information for predicting nominal exchange rates in the post‐crisis period even if we have controlled for latent fundamental exchange rates. Moreover, the economic significance analysis results echo those of the statistical significance analysis.