bluuebunny/crossref_metadata_2025 huggingface dataset:
Postmortem diagnosis of gestational psittacosis: A case report
Authors: Miyauchi Takashi , Hirata Yutaro , Fukuda Shinya
Published: February 2024

Background

Gestational psittacosis is one of the causes of unanticipated maternal death but has been difficult to diagnose early in clinical practice.

Case Presentation

A 28‐year‐old woman who was 7 months pregnant experienced flu‐like symptoms, which deteriorated. She was brought to our hospital in shock, and the fetus was nonviable. The patient was diagnosed with pneumonia and septic shock and administered meropenem. Despite aggressive resuscitation, she died 7 h after symptom onset. After obtaining consent from the patient's family, the autopsy was done to identify the cause of death. Microscopically, there was intervillous neutrophil accumulation in the placenta. Genetic analysis detected the Chlamydia psittaci gene in several organs, including placenta.

Conclusion

Gestational psittacosis should be considered for a pregnant woman with flu‐like symptoms. Moreover, unanticipated death of a pregnant woman might warrant a detailed autopsy to reveal the cause of death.
Levodopa Impairs the Energy Metabolism of the Basal Ganglia In Vivo
Authors: Prasuhn Jannik , Schiefen Tanja , Güber Theresia , Henkel Julia , Uter Jan , Steinhardt Julia , Wilms Britta , Brüggemann Norbert
Published: February 2024

Objective

One proposed mechanism of disease progression in Parkinson's disease includes the interplay of endogenous dopamine toxicity and mitochondrial dysfunction. However, the in‐vivo effects of exogenous dopamine administration on cerebral bioenergetics are unknown.

Methods

We performed a double‐blinded, cross‐over, placebo‐controlled trial. Participants received either 200/50 mg levodopa/benserazide or a placebo and vice versa on the second study visit. Clinical assessments and multimodal neuroimaging were performed, including 31phosphorus magnetic resonance spectroscopy of the basal ganglia and the midbrain.

Results

In total, 20 (6 female) patients with Parkinson's disease and 22 sex‐ and age‐matched healthy controls (10 female) were enrolled. Treatment with levodopa/benserazide but not with placebo resulted in a substantial reduction of high‐energy phosphorus‐containing metabolites in the basal ganglia (patients with Parkinson's disease: −40%; healthy controls: −39%) but not in the midbrain. There were no differences in high‐energy phosphorus‐containing metabolites for patients with Parkinson's disease compared to healthy controls in the OFF state and treatment response.

Interpretation

Exogenously administered levodopa/benserazide strongly interferes with basal ganglia high‐energy phosphorus‐containing metabolite levels in both groups. The lack of effects on midbrain levels suggests that the observed changes are limited to the site of dopamine action. ANN NEUROL 2024;95:849–857
Sortase‐Catalyzed Protein Domain Inversion
Authors: Zhou Yan , Durek Thomas , Craik David J. , Rehm Fabian B. H.
Published: February 2024

Topological transformations and permutations of proteins have attracted significant interest as strategies to generate new protein functionalities or stability. These efforts have mainly been inspired by naturally occurring post‐translational modifications, such as head‐to‐tail cyclization, circular permutation, or lasso‐like entanglement. Such approaches can be realized experimentally via genetic encoding, in the case of circular permutation, or via enzymatic processing, in the case of cyclization. Notably, these previously described strategies leave the polypeptide backbone orientation unaltered. Here we describe an unnatural protein permutation, the protein domain inversion, whereby a C‐terminal portion of a protein is enzymatically inverted from the canonical N‐to‐C to a C‐to‐C configuration with respect to the N‐terminal part of the protein. The closest conceptually analogous biological process is perhaps the inversion of DNA segments as catalyzed by recombinases. We achieve these inversions using an engineered sortase A, a widely used transpeptidase. Our reactions proceed efficiently under mild conditions at 4–25 °C and are compatible with entirely heterologously‐produced protein substrates.
Rhodium‐Catalyzed Asymmetric Hydrogenation and Transfer Hydrogenation of 1,3‐Dipolar Nitrones
Authors: Xu Liren , Yang Tilong , Sun Hao , Zeng Jingwen , Mu Shuo , Zhang Xumu , Chen Gen‐Qiang
Published: February 2024

Owing to their distinctive 1,3‐dipolar structure, the catalytic asymmetric hydrogenation of nitrones to hydroxylamines has been a formidable and longstanding challenge, characterized by intricate enantiocontrol and susceptibility to N−O bond cleavage. In this study, the asymmetric hydrogenation and transfer hydrogenation of nitrones were accomplished with a tethered TsDPEN‐derived cyclopentadienyl rhodium(III) catalyst (TsDPEN: p‐toluenesulfonyl‐1,2‐diphenylethylene‐1,2‐diamine), the reaction proceeds via a novel 7‐membered cyclic transition state, producing chiral hydroxylamines with up to 99 % yield and >99 % ee. The practical viability of this methodology was underscored by gram‐scale catalytic reactions and subsequent transformations. Furthermore, mechanistic investigations and DFT calculations were also conducted to elucidate the origin of enantioselectivity.
Covalent Organic Frameworks Based Photoenzymatic Nano‐reactor for Asymmetric Dynamic Kinetic Resolution of Secondary Amines
Authors: Ran Lu , Chen Yu , Zhu Yanqiu , Cai Huanyu , Pang Huaji , Yan Dingce , Xiang Yonggang , Teng Huailong
Published: February 2024

Bio‐catalysis represents a highly efficient and stereoselective method for the synthesis of valuable chiral compounds, however, the poor stability and limited reaction types of free enzymes restrict their wide application in industrial production. In this work, to overcome these problems, a multifunctional photoenzymatic nanoreactor CALB@COF‐Ir was developed through the encapsulation of Candida antarctica lipase B (CALB) in a photosensitive covalent organic framework COF‐Ir. This bio‐nanocluster serves as efficient catalysts in asymmetric dynamic kinetic resolution (DKR) of secondary amines to give a series of chiral amines in high yields (up to 99 %) and enantioselectivities (up to 99 % ee). The well‐designed COF‐Ir not only acts as safety cover to prevent CALB from deactivation but promotes racemization of secondary amines via photo‐induced hydrogen atom transfer (HAT) process. Photoelectric characterization and TDDFT calculation revealed that (ppy)2Ir units in COF‐Ir play crucial role in this photocatalytic system which enhance its photo‐redox properties through facilitating the separation between photoelectrons (e−) and holes (h+). Furthermore, the heterogeneous photoenzymatic nanoreactor could be recycled for five rounds with slight decline of catalytic reactivity.
A Multimodal Bio‐Sensing and Imaging Platform (MSIP) for Real‐Time Intraoperative Margin Detection in Cancer Surgery
Authors: Hatami‐Fard Ghazal , Vyas Khushi , Leff Daniel , Dasgupta Ranan , Anastasova Salzitsa
Published: February 2024

In cancer surgery, the precise characterisation of tissue margins is of paramount importance to ensure effective resection. However, conventional methods have inherent limitations in terms of both speed and accuracy, often necessitating labour‐intensive postsurgical tissue analyses. To overcome these challenges and enhance the precision of cancer surgery, we introduced an innovative Multimodal Sensing and Imaging Platform (MSIP) equipped with advanced pH sensing capabilities. The MSIP represents the synergistic fusion of a miniaturised, flexible wire‐based electrochemical pH sensor with a sensitivity of 62.4 mV per pH for real‐time functional imaging. Simultaneously, it incorporates a high‐speed confocal endomicroscope utilizing a 2.6 mm fibre bundle to achieve subcellular resolution in morphological imaging. The pH sensor enables continuous monitoring of dynamic changes in the tumour microenvironment, offering valuable insights. Confocal endomicroscopy provides high‐resolution, real‐time imaging of tumour morphology with an impressive 2.2 μm resolution. This integration not only enhances the precision of cancer surgery but also fosters a comprehensive understanding of the biological and molecular characteristics of tumours. By consolidating multiple diagnostic parameters into a unified platform, MSIP has emerged as a transformative technology poised to revolutionise our approach to cancer surgery.
Dual material fused filament fabrication of composite core‐shell structures with improved impact resistance and interfacial adhesion
Authors: Naqi Ahmad , Bischoff Derek J. , Mackay Michael
Published: February 2024

The mechanical performance of parts produced by fused filament fabrication (FFF) has been limited due to the presence of voids and poor interlayer welding. Recent advancements in FFF have enabled the fabrication of void‐free objects with strong interlayer welding through the use of semicrystalline polymer shells such as high‐density polyethylene (HDPE) along with a high viscosity core polymer like acrylonitrile‐butadiene‐styrene (ABS). The zero‐shear viscosity (η0) of ABS is three orders of magnitude higher than HDPE making the ABS‐HDPE core‐shell configuration preferable. ABS holds the shape by preventing bulk flow and part bending while HDPE promotes full surface contact across the layers. Most polymers, however, are immiscible which causes a weak weld line along the core‐shell interface. Herein, maleic anhydride (MAH) is grafted to the butadiene segment of the ABS core thereby compatibilizing the interface with HDPE, improving the interfacial adhesion. Attenuated total reflectance‐Fourier transform infrared spectroscopy was employed to confirm successful grafting. Using a custom‐made die affording the core‐shell structure, the ABS‐g‐MAH is shown to improve the impact resistance by 253% and 16% compared to neat HDPE and ABS specimens, respectively. Additionally, a 10% increase compared to the unmodified ABS‐HDPE core‐shell configuration is observed.
Morphological evolution and property changes of acrylate rubber/polyacetal thermoplastic vulcanizates during dynamic vulcanization process
Authors: Huang Xin , Gong Wei Ying , Deng Tao
Published: February 2024

A new type of thermoplastic vulcanizates (TPV) that is resistant to hot oil, high temperature, and aging was prepared using acrylate elastomer (ACM) and polyoxymethylene (POM) as raw materials. The phase transition process and micromorphology development of the blends with the change of dynamic vulcanization (DV) time, and to illustrate the effects of the phase transition and the degree of elastomer phase crosslinking on the macroscopic properties of TPV were investigated. It was shown that ACM crosslinking occurs continuously during 0–8 min of DV, whereas the phase inversion process occurs predominantly during 0–3 min. In contrast, the cross‐section of the blends after phase inversion is flat, The constant elongation stress under small deformation, hardness, and permanent deformation after break are reduced, and the elongation at break, nonrelaxable modulus, and aging resistance are improved. The increase in the degree of vulcanization of the ACM phase resulted in a significant increase in the modulus of the blends under large deformation, an increase in the nonrelaxable modulus and relaxable modulus, an increase in the aging resistance, and a decrease in the elongation at tear were observed.
Investigating the impact of Cloisite® 15A nanoclays on the diffusivity of Irganox 1035 antioxidant in high‐density polyethylene nanocomposite
Authors: Mouloud Aicha , Kerkour Abdelhakim , Colin Xavier , Ait Cherif Ghania , Benchaoui Abdelmounaim
Published: February 2024

Knowing the diffusion coefficients of antioxidants in packaging materials is essential to assess their effectiveness in protecting materials against oxidation, but also to prevent their eventual migration to food. In this work, the diffusion of a commercial phenolic antioxidant (Irganox 1035) was measured experimentally in pristine high‐density polyethylene (HDPE) and in HDPE nanocomposite filled with 3 wt% of nanoclays (Cloisite® 15A). Diffusion experiments were performed using the Roe's method between 60 and 100°C. The local concentration of Irganox1035 in each film was measured by UV–Vis spectroscopy from the UV absorbance at 282 nm. The adjustment of the experimental data by Fick's second law allowed us to deduce the values of the diffusion coefficient of Irganox1035 at each temperature and to show that the temperature dependence of this coefficient obeys an Arrhenius' law. It is shown that the incorporation of 3 wt% of Cloisite®15A into HDPE significantly hinders the diffusion of Irganox 1035 and increases its activation energy. Several mechanistic assumptions could explain this result, first the increase in the tortuosity of diffusion paths, but also the possible establishment of strong intermolecular interactions between the antioxidant and some chemical groups on the nanofiller surface, or even the formation of an interphase with reduced molecular mobility around the nanofillers.
Facile construction of polypyrrole microencapsulated γ‐Fe2O3 for simultaneously enhancing the flame retardancy and smoke toxicity suppression of intumescent flame‐retardant epoxy resins
Authors: Long Miaotian , Zhang Zerui , Yan Long , Yi Liang
Published: February 2024

For effectively strengthening the comprehensive properties of intumescent flame‐retardant epoxy resins (EPs), a microencapsulating γ‐Fe2O3 by polypyrrole (PPy) named PPy‐Fe2O3 was synthesized and used as a synergist to simultaneously enhance the flame retardancy, smoke toxicity suppression and mechanical strength of EP composites containing diaminodiphenylmethane modified ammonium polyphosphate (DDP). The results demonstrate that the mixture of PPy‐Fe2O3 and DDP exhibits a surprising synergistic effect on strengthening the comprehensive properties of EP composites. Specifically, EP composite containing 0.2 wt% PPy‐Fe2O3 and 9.8 wt% DDP achieves the UL94 V‐0 rating with a limiting oxygen index (LOI) value of 35.5%, while 10 wt% DDP only imparts a UL94 V‐1 rating and a LOI value of 34.0% to EP. Furthermore, 0.2 wt% PPy‐Fe2O3 shows a 11.0% reduction in peak smoke production rate and a 12.3% reduction in peak heat release rate of the EP/DDP system. The enhanced fire security of EP/DDP/PPy‐Fe2O3 is attributed to the formation of more phosphorus‐rich structures retained in the char, thus reducing the release of harmful gases including NH3, CO, and CO2, and generating more incombustible gases including H2O to weaken burning intensity. Meanwhile, the satisfactory compatibility of PPy‐Fe2O3 with epoxy matrix imparts a superior mechanical strength to EP composites.
Annular expansion for enhanced orientation and mechanical properties of extruded amorphous PPESK/PES pipes
Authors: Pan Xiaotong , Pan Yuxi , Zhao Haiyang , Liu Cheng , Zeng Wenguang , Guo Yujie , Song Ce , Jian Xigao
Published: February 2024

With the discovery of deeper oil fields, conventional metal pumping pipes have been proven to be ineffective in meeting the requirements for deep well oil production due to their high weights and limited corrosion resistance. Therefore, in this study, a composite of Poly(phthalazinone ether sulfone ketone) (PPESK) and polyethersulfone (PES) was used to fabricate nonmetal pipes. To enhance the mechanical properties of the PPESK/PES pipes, a self‐designed annular expansion pipe extruder head was used. The circumferential burst stress and axial tensile strength of the PPESK/PES pipes subjected to 30° expansion were 73.0% and 48.9% higher than those of the unexpanded sample, respectively. When annular expansion was integrated into the extrusion of PPESK/PES/carbon fiber pipes, the axial tensile strength and circumferential burst stress were 45.9% and 88.8% higher than those of the unexpanded sample, respectively. Results of polarized infrared testing and metallographic microscopic examinations demonstrated that molecular chains present a regular orientation at a certain angle to the extrusion direction, under the effect of annular expansion extrusion. These findings highlight the efficiency of annular expansion in promoting the large‐scale production of pipes.
Sustainable poultry farming in developing nations: Exploring cassava waste utilization for enhanced poultry production and economic viability
Authors: Aroh Izuchukwu Martin , Agboje Agida Christopher , Ogbonna Goodness N. , Anyanka Samuel Onyedikachi , Macartan Benjamin P. , Ohanehi Helen Amara , Anigbogu Nnamdi Mbanefo
Published: February 2024

In intensive poultry production, particularly in developing countries like Nigeria, addressing the issues of agricultural waste and feed costs for farmers is crucial. This study explores a solution by incorporating cassava waste into broiler chicken diets. The research examines its effects on economic factors, growth performance, carcass yield, and agricultural waste utilization over 8 weeks. Three hundred broiler chickens were divided into three groups: a control group without cassava waste and two treatment groups with 10% and 15% cassava waste inclusion. Results showed that a 10% inclusion improved key performance indicators such as weight gain, feed intake, feed conversion ratio, and carcass weight, while a 15% inclusion was less efficient than the control. Economically, diets with 10% and 15% cassava tuber waste were more cost‐effective than the control, emphasizing the economic benefits of cassava‐based diets for broiler chickens, and offering a sustainable, cost‐efficient feeding option for poultry farmers.
Dirac spinor scattering states with positive‐energy in rotating spheroid models
Authors: Gao Zhi‐Fu , Chen Ci‐Xing , Wang Na , Zhao Xin‐Jun , Wang Zhao‐Jun
Published: February 2024

There are many rotating spheroids in the universe, and many astronomers and physicists have used theoretical methods to study the characteristics of stellar gravity since Newton's time. This paper derives the solutions of eight scattering states ,, and for the Dirac equation with positive‐energy , and establishes the relationship between the differential scattering cross section and the stellar density . It is found that: (1) For the eight scattering states, their average scattering cross‐sections are proportional to , and depend on the star's radius, and the higher the stellar density , the greater the sensitivity of to the change of ; (2) For the four scattering states , their average scattering amplitudes and depend on the mass of the particles; while for the other four scattering states , , then and are independent of . This study links the gravitational characteristics of stars with the scattering cross section, creating a new method for studying the gravitational characteristics, which helps to reveal the mystery of the gravity of rotating ellipsoidal stars.
Highly active cobalt(II) and copper(II) complexes supported by aminomethylquinoline mediating stereoselective ring‐opening polymerization of rac‐lactide
Authors: Lee Jaegyeong , Nayab Saira , Kumar Ameet , Kim Dongil , Jung Hyewon , Lee Sang‐Ho , Cho Daeheum , Lee Hyosun
Published: February 2024

Cobalt(II) and copper(II) complexes supported by 4‐(quinolin‐2‐ylmethyl)morpholine (L) were characterized, and their reactivity toward the ring‐opening polymerization (ROP) of rac‐lactide (rac‐LA) was studied. The use of [LMCl2]/LiOiPr and [LMCl2]/LiMe (M = Co, Cu) resulted in over 95% conversion within 10 min at 25 °C. The effect of the initiating group and geometry of the metal complexes steered the heterotactic enchainment of the resultant polylactide(PLA). The Co(II)/LiMe system represents the first example of the ROP of rac‐LA with high heterotactic enchainment (Pr = 0.92) with 98% conversion at 0 °C.
From Reddit to manifestos: Forensic evaluation of incel online activity
Authors: Dupré Juliette K. , Tastenhoye Camille A. , Ross Nina E. , Bodnar Tetyana V. , Hatters Friedman Susan
Published: February 2024

Forensic evaluators are increasingly called upon to review online collateral information, including social media posts, web forum posts, chat histories, and other sources such as manifestos. This information is especially vital when assessing members of a virtual community such as that of the involuntary celibate, or incel community. While this new wealth of information can add valuable context to the forensic assessment, it presents unique challenges for the evaluator including challenges with authenticity and interpretation. This article will present an approach to evaluations of such collateral, including a review of the relevant empirical research in this area and touch upon important areas to consider in the forensic evaluation of incel online activity.
Natural Product Isolation of the Extract of Cleome rupicola Fruits Exhibiting Antioxidant Activity
Authors: Gambrill Yumi , Commins Patrick , Schramm Stefan , Lui Nathan M. , AlNeyadi Shaikha S. , Naumov Panče
Published: February 2024

Cataracts are the leading cause of blindness worldwide, however, there is currently no drug‐based treatment. Plants that exhibit antioxidant properties have shown promising anticataract effects, likely because they supplement the activity of glutathione, the major antioxidant in lens cells. An extract of Cleome rupicola, a desert plant found in the United Arab Emirates, has traditionally been used to treat cataracts. Phytochemical screening of the aqueous extract established the presence of flavonoids, tannins, steroid derivatives, and reducing sugars. Fractioning of extracts from the fruits using high‐performance liquid chromatography (HPLC) yielded the isolation of the anthelmintic compound cleomin, and its structure was confirmed using mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy.
Design, Synthesis and In‐Silico Studies of Piperidine‐Dihydropyridine Hybrids as Anticancer Agents
Authors: Rejinthala Swathi , Endoori Srinivas , Thumma Vishnu , Mondal T.
Published: February 2024

In this study, we designed, synthesized and characterized a novel series of piperidine‐dihydropyridine hybrid compounds and characterized them by 1H‐NMR, 13C NMR, mass spectrometry (MS), and elemental analysis. Subsequently, we assessed their in vitro anticancer potentials against the human breast adenocarcinoma cell line MCF‐7 and the lung cancer cell line A‐549. Several of these compounds demonstrated significant activity, with IC50 values ranging from 15.94 μM to 48.04 μM for A‐549 and 24.68 μM to 59.12 μM for MCF‐7, when compared to the reference drug Cisplatin.Notably, a compound featuring a 3‐fluoro substitution in the carboxamide series exhibited robust inhibitory effects, with an IC50 of 15.94±0.201 μM against A‐549 cells and an IC50 of 22.12±0.213 μM against MCF‐7 cells, respectively. Additionally, a compound containing a cyclobutyl ring displayed potent activity, with an IC50 of 16.56±0.125 μM against A‐549 and an IC50 of 24.68±0.217 μM against MCF‐7 cells, respectively. Furthermore, molecular docking studies against the Epidermal Growth Factor Receptor (EGFR) (PDB ID: 2J6M) revealed favourable binding scores and interactions, suggesting their potential as promising candidates for further investigation in the context of anticancer drug development.
Na2S2O3 Catalyzed Three‐Component Synthesis and Anti‐Bacterial Activity of 3‐Methyl‐4‐(hetero)arylmethylene isoxazole‐5(4H)‐ones
Authors: Bi Yongchang , Wang Jingjun , Bian Xingyu , Chen Mingyue , Zhu Guangyuan , Zhang Yumin , Gu Qiang
Published: February 2024

An efficient and green method for synthesizing 3‐methyl‐4‐(hetero) arylmethylene isoxazole‐5(4H)‐ones was developed using a recyclable and environmental–friendly catalyst, Na2S2O3, and 16 target compounds were successfully synthesized under the obtained optimal reaction condition. Using rifampicin as a positive control, the antibacterial activity of all synthesized compounds was tested by micro dilution method, among them, 3‐methyl‐4‐[(2,4‐dimethoxyphenyl) methylene]‐isoxazole‐5‐one (4 m) presented wonderful antimicrobial activity, which may contribute to the development of anti‐tuberculosis drugs.
Analyzing the Antioxidant Activity and Fatty Acid Composition of Monofloral Mullein (Verbascum sp.) Pollen Oil obtained via Various Extraction Techniques
Authors: Dursun İnan , Felek İkranur , Çobanoğlu Duygu Nur
Published: February 2024

This study focused on characterizing fatty acids and evaluating the antioxidant properties in oils extracted from mullein (Verbascum sp.) bee‐collected pollen, utilizing soxhlet and ultrasound‐assisted methods with acetone and hexane solvents. Soxhlet extraction demonstrated high efficiency in mullein bee pollen oil extraction. The highest levels of total phenolic content (TPC), total flavonoid content (TFC), DPPH⋅, and ABTS⋅+ activities (41.07±1.43 mg GAE/g extract; 1.86±0.01 mg QE/g extract; 16.23±0.68 mg TE/g extract; 56.88±0.43 mg TE/g extract, respectively) were observed in oil extracted using the soxhlet method with acetone solvent. Conversely, ultrasound‐assisted extraction with hexane yielded oils rich in saturated fatty acids, while acetone extraction contained higher monounsaturated fatty acids. Palmitic, linoleic, and oleic acids were predominant in the extracted oils. This study introduces, for the first time, the identification of fatty acids found in mullein bee pollen oil, along with an examination of their antioxidant properties. The choice of solvent was found to significantly influence compound extraction compared to the extraction method.
Carbon quantum dots for efficient hydrogen production: A critical review
Authors: Sharma Mukesh , Kafle Saroj Raj , Singh Anju , Chakraborty Arun , Kim Beom Soo
Published: February 2024

Fluorescent carbon nanoparticles, also known as carbon quantum dots (CQDs), have piqued the interest of researchers due to their numerous uses in chemical sensing, biomedical imaging, nanotechnology, photovoltaics, LEDs, and hydrogen generation. Aside from their optical brilliance, CQDs have benefits like low toxicity, environmental friendliness, cost‐effectiveness, and ease of manufacture, with adjustable properties via surface passivation and functionalization. This review article goes over CQDs in‐depth, addressing synthesis advances, benefits, limits, various synthesis processes, and prospective hydrogen generation applications. While CQDs have photocatalytic properties, they confront a few challenges, including low quantum yields, spectrum limitations, photostability limitations, limited catalytic activity, scaling difficulties, and environmental issues. Thorough research is required to use CQDs in sustainable hydrogen generation. Despite obstacles, CQD research remains appealing, with transformational promise for a cleaner and more sustainable energy future through controlled synthesis approaches displaying CQDs’ many uses.
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification
Authors: Fontes Juliana , Anzanello Michel J. , Brito João B. G. , Bucco Guilherme B.
Published: February 2024

Spectral data describing product samples are typically composed of a large number of noisy and irrelevant wavelengths that tends to undermine the performance of multivariate predictive techniques. This paper proposes a two‐phase framework that integrates a preselection wavelength step oriented by wavelength clustering to a wrapper‐based strategy. The first phase performs a pruning process in the data that removes the less informative wavelengths relying on the spectral clustering, a technique deemed suitable to the Fourier transform infrared (FTIR) spectroscopy and near‐infrared (NIR) spectroscopy data at hand. The preselected wavelengths undergo a second phase of selection efforts based on the combination of different wavelength importance indices (i.e., Bhattacharyya distance, Chi‐square, ReliefF, and Gini) and classification techniques (i.e., support vector machine, k‐nearest neighbors, and random forest). When applied to 11 FTIR datasets from different domains, the recommended combination of importance index and classifier increased the average accuracy by 6.37% (from 0.863 to 0.918), while retaining average 3.84% of the original spectra. The framework also improved the selection process regarding computational time.
Asymmetric Carbene Transformations for the Construction of All‐Carbon Quaternary Centers
Authors: Yao Minghan , Dong Shanliang , Xu Xinfang
Published: February 2024

Asymmetric catalytic carbene reactions have been well documented in the last few decades for the expeditious assembly of chiral molecules with structural diversity. However, the enantioselective construction of all‐carbon quaternary centers remains a challenge in this area. In this review article, two types of asymmetric carbene reactions that beyond cyclopropanation, cyclopropenation, and Büchner reaction, have been summarized for the construction of all‐carbon quaternary centers: 1) using carbene species as a 1C synthon that reacts with a trisubstituted prochiral center; 2) sequential installation of two different C−C bonds on the carbene position, which features a gem‐difunctionalization reaction. Especially, the asymmetric metal carbene gem‐dialkylation process, which has emerged as a practical and versatile method for the expeditious assembly of complex architectures from readily available chemical resources, is a complementary approach for the expeditious assembly of all‐carbon quaternary centers.
Engineering Detrimental Functional Groups in Conductive Additives Toward High‐Performance All‐Solid‐State Batteries
Authors: Li Jianqing , Xu Daren , Yao Shiyu , Du Fei
Published: February 2024

Conductive additives are of great importance for the adequate utilization of active materials in all‐solid‐state lithium batteries by establishing conductive networks in the composite cathode. However, it usually causes severe interfacial side reactions with solid electrolytes, especially sulfide electrolytes, leading to sluggish ion transportation and accelerated performance degradation. Herein, a simple hydrogen thermal reduction process is proposed on a commonly used conductive additive Super P, which effectively removes the surface oxygen functional groups and weakens the interfacial side reactions with sulfide. With a small amount of 1 wt % reduced Super P, ASSLBs demonstrates a competitive capacity of 180.2 mAh g−1, which is much higher than the 130.8 mAh g−1 of untreated Super P. Impressively, reduced Super P based ASSLBs also exhibit a higher capacity retention of 81.8 % than 64.6 % of untreated Super P. The cathode interfacial chemical evolutions reveal that reduced Super P could effectively alleviate the side reactions of sulfide. Reduced Super P shows better reversible capacity compared to reduced carbon nanofiber with almost no loss of capacity retention, due to its more complete conductive network. Our results highlight the importance of oxygen‐containing functional groups for conductive additives, lightening the prospect of low‐cost 0D conductive additives for practical ASSLBs.
Improving batch schedulers with node stealing for failed jobs
Authors: Du Yishu , Marchal Loris , Pallez Guillaume , Robert Yves
Published: February 2024

After a machine failure, batch schedulers typically re‐schedule the job that failed with a high priority. This is fair for the failed job but still requires that job to re‐enter the submission queue and to wait for enough resources to become available. The waiting time can be very long when the job is large and the platform highly loaded, as is the case with typical HPC platforms. We propose another strategy: when a job fails, if no platform node is available, we steal one node from another job , and use it to continue the execution of despite the failure. In this work, we give a detailed assessment of this node stealing strategy using traces from the Mira supercomputer at Argonne National Laboratory. The main conclusion is that node stealing improves the utilization of the platform and dramatically reduces the flow of large jobs, at the price of slightly increasing the flow of small jobs.
Coarsening droplets for frosting delay on hydrophilic slippery liquid‐infused porous surfaces
Authors: Sarma Jyotirmoy , Monga Deepak , Guo Zongqi , Chen Fangying , Dai Xianming
Published: February 2024

Frosting occurs due to the freezing of condensed water droplets on a supercooled surface. The nucleated frost propagates through interdroplet bridges and covers the entire surface, resulting from the deposition of highly supersaturated vapor surrounding tiny droplets. While inhibition of the formation of frost bridges is not possible, the propagation of frost can be delayed by effectively removing tiny droplets. Passive technologies, such as superhydrophobic surfaces (SHS) and hydrophobic slippery liquid‐infused porous surfaces (SLIPS), rely on static growth and direct contact with densely distributed droplets. However, use of these approaches in delaying frost propagation involves challenges, as the interdroplet distance remains small. Here, we report a new approach of spontaneous droplet movement on hydrophilic SLIPS to delay the formation of interdroplet frost bridges. Surface tension forces generated by the hydrophilic oil meniscus of a large water droplet efficiently pull neighboring droplets with a diameter of less than 20 μm from all directions. This causes a dynamic separation between water droplets and an adjacent frozen droplet. Such a process delays the formation and propagation of interdroplet frost bridges. Consequently, there is significant delay in frosting on hydrophilic SLIPS compared to those on SHS and hydrophobic SLIPS.
Pedigree analysis in the mhorr gazelle (Nanger dama mhorr): Genetic variability evolution of the captive population
Authors: Domínguez Sonia , Cervantes Isabel , Gutiérrez Juan Pablo , Moreno Eulalia
Published: February 2024

Breeding programs have an essential role in the recovery of threatened populations through optimal genetic management and mating strategies. The dama gazelle (Nanger dama) is a North African ungulate listed as critically endangered. The mhorr subspecies is extinct in the wild and currently survives thanks to the creation in 1971 of an ex situ breeding program. The aim of the present study was to assess the evolution of genetic variability in this mhorr gazelle captive population, as well as the mating strategy used in two reference populations studied (Almeria and Europe). The entire pedigree, with 2739 animals, was analyzed to measure demographic characters, pedigree completeness level, probability of gene origin, level of relatedness and genetic structure of the population. The population size has been progressively increasing, with up to 264 individuals alive in Europe at the time of the study. The average number of equivalent complete generations was 5.55. The effective number of founders and ancestors was both 3, and the founder genome equivalent was 1.99. The genetic contributions of the four main ancestors were unbalanced. The average values of inbreeding and average relatedness for the whole pedigree were, respectively, 28.34% and 50.14%. The effective population size was 8.7 by individual increase in inbreeding and 9.8 by individual increase in coancestry. F‐statistics evidenced a very small level of population subdivision (FST = 0.033370). The mating strategy used, based on the minimum coancestry of the individuals, has minimized the losses of genetic variability and helped to balance the genetic contributions between ancestors. The strategy also avoided large subdivisions within the population and the appearance of new bottlenecks. This study shows how pedigree analysis can both be used to determine the genetic variability of the population and to assess the influence of the mating strategy used in the breeding program on such variability.
Causes and prognosis of adults experiencing a first seizure in adulthood: A pilot cohort study conducted in five countries in Latin America
Authors: Carpio Arturo , Salgado Carla , DiCapua Daniela , Fleury Agnes , Suastegui Roberto , Giagante Brenda , Aguilera Ledda , Quijada Alonso , Nuñez Lilia , Villanueva Manuela , Plascencia‐Alvarez Noel , Hamamoto Filho Pedro T , Piedra Luis M. , Silva‐Rosas Carlos , Kelvin Elizabeth A.
Published: February 2024

There are limited data on first seizure (FS) among adults in low and middle‐income countries. We describe findings from a prospective cohort study involving 180 adults presenting with seizures in emergency departments in five Latin American countries. Overall, 102 participants (56.7%) had acute symptomatic seizures (ASyS) while 78 (43.3%) had unprovoked seizures (UPS). Among patients with ASyS, 55 (53.9%) had structural causes, with stroke (n = 24, 23.5%), tumor (n = 10, 9.8%), and trauma (n = 3, 3%) being the most frequent. Nineteen patients (18.6%) had infectious causes, including four (4%) with meningoencephalitis, three (3%) neurocysticercosis, and two (2%) bacterial meningoencephalitis. Twenty patients (19.6%) had metabolic/toxic evidence, including four (4%) with uremic encephalopathy, two (2%) hyponatremia, and three (3%) acute alcohol intoxication. Immune dysfunction was present in seven (7%) patients and neurodegenerative in two (2%). Among participants with UPS, 45 (57.7%) had unknown etiology, 24 (30.7%) had evidence of structural disorders (remote symptomatic), four (5%) were related to infectious etiology (>7 days before the seizure), and five (6.4%) had genetic causes. During the 3‐ and 6‐month follow‐up, 29.8% and 14% of patients with UPS, respectively, experienced seizure recurrence, while 23.9% and 24.5% of patients with ASyS had seizure recurrence. Longer follow‐up is necessary to assess seizure recurrence for patients with ASyS after the acute cause is resolved and to determine the 10‐year risk of recurrence, which is part of the definition of epilepsy.

Plain Language Summary

We monitored 180 adults who presented with their first seizure in emergency departments across five Latin American countries. Among these patients, 57% had acute symptomatic seizures, with structural causes such as stroke (23%), infection (17%), or tumor (10%) being more prevalent. Among the 43% with unprovoked seizures, 58% showed no identifiable acute cause, while 6.4% were due to genetics. Within 3 months after their initial seizure, 26.6% of individuals experienced a second seizure, with 11.9% continuing to have seizures in Months 3–6. Between Months 3 and 6, an additional 20% of patients encountered a second seizure. Research is needed to better understand the cause and prognosis of these patients to improve outcomes.
The importance of routine genetic testing in pediatric epilepsy surgery
Authors: Becker Lena‐Luise , Makridis Konstantin L. , Abad‐Perez Angela T. , Thomale Ulrich‐Wilhelm , Tietze Anna , Elger Christian E. , Horn Denise , Kaindl Angela M.
Published: February 2024

Genetic variants in relevant genes coexisting with MRI lesions in children with drug‐resistant epilepsy (DRE) can negatively influence epilepsy surgery outcomes. Still, presurgical evaluation does not include genetic diagnostics routinely. Here, we report our presurgical evaluation algorithm that includes routine genetic testing. We analyzed retrospectively the data of 68 children with DRE operated at a mean age of 7.8 years (IQR: 8.1 years) at our center. In 49 children, genetic test results were available. We identified 21 gene variants (ACMG III: n = 7, ACMG IV: n = 2, ACMG V: n = 12) in 19 patients (45.2%) in the genes TSC1, TSC2, MECP2, DEPDC5, HUWE1, GRIN1, ASH1I, TRIO, KIF5C, CDON, ANKD11, TGFBR2, ATN1, COL4A1, JAK2, KCNQ2, ATP1A2, and GLI3 by whole‐exome sequencing as well as deletions and duplications by array CGH in six patients. While the results did not change the surgery indication, they supported counseling with respect to postoperative chance of seizure freedom and weaning of antiseizure medication (ASM). The presence of genetic findings leads to the postoperative retention of at least one ASM. In our cohort, the International League against Epilepsy (ILAE) seizure outcome did not differ between patients with and without abnormal genetic findings. However, in the 7/68 patients with an unsatisfactory ILAE seizure outcome IV or V 12 months postsurgery, 2 had an abnormal or suspicious genetic finding as a putative explanation for persisting seizures postsurgery, and 3 had received palliative surgery including one TSC patient. This study highlights the importance of genetic testing in children with DRE to address putative underlying germline variants as genetic epilepsy causes or predisposing factors that guide patient and/or parent counseling on a case‐by‐case with respect to their individual chance of postoperative seizure freedom and ASM weaning.

Plain Language Summary

Genetic variants in children with drug‐resistant epilepsy (DRE) can negatively influence epilepsy surgery outcomes. However, presurgical evaluation does not include genetic diagnostics routinely. This retrospective study analyzed the genetic testing results of the 68 pediatric patients who received epilepsy surgery in our center. We identified 21 gene variants by whole‐exome sequencing as well as deletions and duplications by array CGH in 6 patients. These results highlight the importance of genetic testing in children with DRE to guide patient and/or parent counseling on a case‐by‐case with respect to their individual chance of postoperative seizure freedom and ASM weaning.
Antioxidant and antimicrobial effect of sodium alginate nanoemulsion coating enriched with oregano essential oil (Origanum vulgare L.) and Trachyspermum ammi oil (Carum cupticum) on food pathogenic bacteria
Authors: Saffarian Hashem , Rahimi Ebrahim , Khamesipour Faham , Hashemi Dehkordi Seyed Majid
Published: February 2024

Today, microbial contamination in food is one of the major problems of the food industry and public health in general around the world. Foodborne illnesses, such as diarrheal diseases, kill many people around the world each year. The general objective of this study was to evaluate the antioxidant and antibacterial activity of sodium alginate nanoemulsion coating incorporated with oregano essential oil (Origanum vulgare L.) and Trachyspermum ammi oil (Carum cupticum) on Escherichia coli, and Listeria monocytogenes. To achieve this study, fresh chicken meat was used for this experiment. Listeria monocytogenes ATCC 19111 and Escherichia coli ATCC 35218 were obtained from the American Type Culture Collection (Manassas, VA, USA). After the preparation of the essential oil, the chemical composition of this essential oil was determined by using (GC–MS). The physicochemical properties of the nanoemulsion essential oil prepared were characterized and their antimicrobial activity was evaluated. The results showed that the GC–MS analysis of the volatile constituents of the Origanum vulgare essential oil compounds allowed the identification of 19 compounds representing 93.72% of the total oil. The major components detected in Origanum vulgare essential oil were pulegone (49.25%), eucalyptol (18.23%), and menthone (12.37%). About the Carum cupticum essential oil, 21 compounds representing 98.5% of the total oil were identified. The major components detected in Origanum vulgare essential oil were thymol (23.3%), p‐cymene (17.5%), and γ‐terpinene (16.8%). The best z‐average (d.nm) is 483.4 nm (Carum cupticum essential oil + nano) followed by 470.1 nm (nanochitosan). The results of the antimicrobial test showed that the different preparations have a good inhibitory activity for the in vitro growth of Escherichia coli and Listeria monocytogenes. According to the MIC and MBC results of this study, the nanoemulsion also presented a good bacteriostatic activity against the two pathogenic bacteria tested in this study.
Factors affecting purchase intention of organic food products: Evidence from a developing nation context
Authors: Bazhan Marjan , Shafiei Sabet Farnam , Borumandnia Nasrin
Published: February 2024

The organic food industry has experienced rapid growth in recent decades. The industry is relatively new to developing countries compared to developed countries. Since Iran has the potential to produce organic products, it is essential to study factors that influence consumers' intention to buy them. The present study was designed and implemented for this purpose. In this cross‐sectional study, 520 adults were selected using multistage sampling. Path analysis was employed to test a hypothesized model of predictors of consumer purchase intention for organic food. Attitude, environmental concern, and sensory characteristics directly impacted the intention to purchase organic food (p < .01). Knowledge, perceived price, and household size indirectly affected purchase intention through attitude (p < .01). Age indirectly affected purchase intention through health consciousness, environmental concern, perceived price, and sensory characteristics (p < .01). Subjective norms, health consciousness, and the perceived convenience of purchase had a positive and significant effect on purchase intention, directly and indirectly, through the mediating influence of attitude (p = .000). The educational level also affects purchase intention directly and indirectly through knowledge, health consciousness, environmental concern, and subjective norm (p = .000). The most potent total effects belonged to health consciousness, subjective norms, and education, respectively. Overall, the model could explain 47% of the intention variance and 45% of the variance in attitude. Various factors influence Iranian consumers' decision to buy organic food. This information can help professionals make well‐informed decisions in policymaking, production, marketing, tourism, and retailing.
Investigation of the simulated microgravity impact on heavy metal biosorption by Saccharomyces cerevisiae
Authors: Salavatifar Maryam , Khosravi‐Darani Kianoush
Published: February 2024

Heavy metals are one of the most dangerous environmental pollutions, and their elimination is one of the health system's priorities. Microorganisms have been introduced as a safe absorber of such pollution and this ability is related to the characteristics of their surface layers. There are reports about some bacteria's increment of cell envelope thickness in space conditions. Therefore, this study investigated SMG effect on heavy metals biosorption using Saccharomyces (S.) cerevisiae. Furthermore, the stability of complex, isotherm, and kinetic absorption models has been investigated. The results showed that the SMG positively affected the biosorption of mercury (Hg) 97% and lead (Pb) 72.5% by S. cerevisiae. In contrast, it did not affect cadmium (Cd) and arsenic (As) biosorption. In gastrointestinal conditions, Hg, Cd, and As‐yeast complexes were stable, and their biosorption increased. In the case of the Pb‐yeast complex, in simulated gastric exposure, the binding decreased at first but increased again in simulated intestinal exposure in both SMG and normal gravity (NG). The metals' biosorption by yeast followed the pseudo‐second‐order kinetic and the Langmuir isotherm models for all metals (As) matched with Langmuir and Freundlich. The current research results demonstrate that microgravity provides desirable conditions for heavy metal biosorption by S. cerevisiae. Furthermore, the biosorbent–heavy metal complex remains stable after simulated gastrointestinal conditions. Altogether, the results of this study could be considered in detoxifying food and beverage industries and maintaining astronauts' health.