bluuebunny/crossref_metadata_2025 huggingface dataset:
Band Alignment Engineering in 2D Ferroelectric Van der Waals Heterostructures for All‐In‐One Optoelectronic Architecture
Authors: Lu Yanan , Xie Dabao , Zhang Congmin , Cao Dan , Chen Xiaoshuang , Shu Haibo
Published: June 2024

2D van der Waals (vdW) heterostructures consisting of vertically stacking atomically thin semiconductors with different band structures provide a flexible platform to design integrated electronic and optoelectronic devices with multi‐functionalities. However, the realization of device multifunctionality requires the heterostructures with tunable band alignments. Here an efficient strategy is proposed by constructing 2D vdW ferroelectric semiconductor heterostructures composed of atomically thin ferroelectrics and semiconductors to achieve this goal. These calculated results indicate that the local built‐in electric field derived from the ferroelectric polarization can effectively modulate the band alignment of the heterostructures, leading to 36 potential band‐alignment transition pathways. Using SnS/In2Se3 vdW heterostructure as a prototype example, a reversible switching from high‐resistance to low‐resistance state is demonstrated by the band‐alignment transition from type‐II to type‐III driven by ferroelecric polarization switching, consequently leading to giant tunneling electroresistance (TER) ratio as high as 1012%. Moreover, the heterostructure with the momentum‐space matching band structure and in‐plane anisotropy exhibits broadband photoresponse from near‐infrared to ultraviolet regions and excellent polarization sensitivity with the dichroic ratio up to 10.3. The ferroelectric polarization‐dependent conductance state and photoresponse in the heterostructures make them large potential for the realization of all‐in‐one optoelectronic architecture in artificial vision system.
Lithium Battery‐Powered Extreme Environments Exploring: Principle, Progress, and Perspective
Authors: Ma Li , Li Nan , Zhou Sisi , Zhang Xianggong , Xie Keyu
Published: June 2024

Lithium batteries, holding great potential in future deep‐space and deep‐sea exploration, have extensively utilized in probes for extreme environments. However, the complex and harsh external physical forces, including radiation field, ultrasonic field, gravity field, magnetic field, temperature field, and other extreme environments, in isolation or combination, demand severe requirements for unique onboard power supplies. Herein, the fundamental understanding of the service behavior of lithium batteries in external extreme physical fields is focused on. Specifically, based on the unique physicochemical principle originated from these external extreme forces, the underlying mechanisms of external physical fields affecting thermodynamic and kinetic processes of liquid phase mass transfer, interface formation and evolution, and electrochemical deposition are emphatically highlighted. Moreover, with equal attention paid to the enhancement and degradation caused by extreme physical fields, recent progress in the service behavior of lithium batteries is thoroughly analyzed. Furthermore, strategies are scrutinized for mitigating the negative impacts of external physical fields and provide an overview of the comprehensive impacts of external muti‐physical fields. Finally, the potential challenges and future outlook of developing special power sources for deep space and deep sea exploration are proposed. This review provides fundamental guidance for the future of battery‐powered extreme environments exploration.
Effect of the Nature, the Content and the Preparation Method of Zeolite‐Polymer Mixtures on the Pyrolysis of Linear Low‐Density Polyethylene
Authors: Arango‐Ponton Paola , Corjon Guillaume , Dhainaut Jérémy , Heymans Sophie , Duquesne Sophie , Lamonier Jean‐François
Published: June 2024

The effect of the preparation method of the mixture catalyst/polymer on the linear low‐density polyethylene (LLDPE) pyrolysis is studied by comparing the results obtained when the polymer and the catalyst (Hβ or HZSM‐5) are extruded or simply mixed in powder form. By improving the polymer/catalyst contact through extrusion, the polymer degradation took place at lower temperature. The effect of extrusion is more pronounced with Hβ compared to HZSM‐5 owing to the highest external surface of Hβ. While the yields of gas/liquid/coke do not differ with the preparation method when HZSM‐5 is used as catalyst, more significant amount of liquid phase and high production of paraffins are observed when Hβ/LLDPE mixture is extruded, according to random scission pathway reactions. The subsequent reactions are limited by the size of the pore, which impede hydrogenation reactions, producing high molecular weight molecules. Regardless of zeolite type, the micropores of the zeolite are more affected by deactivation by coke when extrusion method is used, this effect being much more important for HZSM‐5. This result is a consequence of a polymer pre‐degradation during the extrusion process in which the first cracks of the polymer at low temperature and the first pore blockages can be generated.
Patterns of venous collateral development after splenic vein occlusion associated with surgical and oncological outcomes after distal pancreatectomy
Authors: Sugimachi Keishi , Shimagaki Tomonari , Tomino Takahiro , Onishi Emi , Mano Yohei , Iguchi Tomohiro , Sugiyama Masahiko , Kimura Yasue , Morita Masaru , Toh Yasushi
Published: June 2024

Aims

Splenic vein occlusion (SpVO) due to a pancreatic tumor may result in the development of collateral circulation and left‐sided portal hypertension. This study aimed to investigate the impact of SpVO on distal pancreatectomy (DP) and provide insights about the management of such cases.

Methods

This retrospective analysis included 124 patients who underwent DP from 2014 to 2022. A subgroup analysis was performed on 88 patients who underwent DP for pancreatic ductal adenocarcinoma (PDAC).

Results

SpVO was found in 26 (20.8%) patients. The patients with SpVO had significantly larger splenic volumes and lower platelet counts. Compared to the patients with patent splenic veins (SpVs), the patients with SpVO underwent significantly longer operations (p = 0.006), with a higher incidence of postoperative complications (p = 0.002). We classified the collateral routes associated with SpVO into five patterns. The most common pattern was the left gastroepiploic vein type, which was associated with a tumor of the pancreatic body. In patients with PDAC, SpVO was associated with larger tumors, microscopic vascular permeation, and peritoneal recurrence. However, the differences between overall and recurrence‐free survival rates in the patients with SpVO vs those with patent SpVs were not significant.

Conclusions

SpVO causes left‐sided portal hypertension, which can be a risk for perioperative complications in DP. Operative planning based on the classification of collateral flow patterns may help prevent intraoperative congestion and perioperative complications.
Novel machine‐learning model for predicting lymph node metastasis in resectable pancreatic ductal adenocarcinoma
Authors: Daibo Susumu , Homma Yuki , Ohya Hiroki , Fukuoka Hironori , Miyake Kentaro , Ozawa Mayumi , Kumamoto Takafumi , Matsuyama Ryusei , Saigusa Yusuke , Endo Itaru
Published: June 2024

Aim

Lymph node metastasis is an adverse prognostic factor in pancreatic ductal adenocarcinoma. However, it remains a challenge to predict lymph node metastasis using preoperative imaging alone. We used machine learning (combining preoperative imaging findings, tumor markers, and clinical information) to create a novel prediction model for lymph node metastasis in resectable pancreatic ductal adenocarcinoma.

Methods

The data of patients with resectable pancreatic ductal adenocarcinoma who underwent surgery between September 1991 and October 2022 were retrospectively examined. Machine‐learning software (Statistical Package for the Social Sciences Modeler) was used to create a prediction model, and parameter tuning was performed to improve the model's accuracy. We also analyzed the contribution of each feature to prediction using individual conditional expectation and partial dependence plots.

Results

Of the 331 cases included in the study, 241 comprised the training cohort and 90 comprised the test cohort. After parameter tuning, the areas under the receiver operating characteristic curves for the training and test cohorts were 0.780 and 0.795, respectively. Individual conditional expectation and partial dependence plots showed that larger tumor size and carbohydrate antigen 19–9 and Duke pancreatic monoclonal antigen type 2 levels were associated with positive lymph node metastasis prediction in this model; neoadjuvant treatment was associated with negative lymph node metastasis prediction.

Conclusion

Machine learning may contribute to the creation of an effective predictive model of lymph node metastasis in pancreatic ductal adenocarcinoma. Prediction models using machine learning may contribute to the development of new treatment strategies in resectable pancreatic ductal adenocarcinoma.
Protective effects of ethnic enclaves: Testing pathways to alcohol use and use disorders in Mexican American young adults
Authors: Tam Christina C. , Li Libo , Kosai Sam , Duhart Clarke Sarah E. , Ehlers Cindy L. , Karriker‐Jaffe Katherine J.
Published: June 2024

Ethnic enclave residence is associated with decreased risk for drinking and related problems, but less is known about the mechanisms that explain this association. Informed by theories of social control, we used a multilevel framework to examine whether negative attitudes toward drinking mediated associations between ethnic enclave residence (i.e., neighborhood linguistic isolation) and alcohol outcomes among Mexican American young adults (N = 628) in Southern California. Model 1 assessed mediation effects in the pathways from linguistic isolation to current drinking and alcohol use disorder (AUD). Model 2 adjusted for parental drinking attitudes and neighborhood alcohol availability. There were differential associations by gender in direct effects of linguistic isolation and negative drinking attitudes on both drinking and AUD. Among women only, linguistic isolation was related to greater abstinence and decreased AUD after accounting for social control proxies of parent attitudes and alcohol availability. Young adults' own drinking attitudes did not mediate relationships between linguistic isolation and alcohol outcomes. This study offers evidence on the importance of disaggregating Hispanic national groups by gender to uncover social mechanisms within ethnic enclave settings for tailored supports in reducing risk of drinking and alcohol‐related harms.
Sodium content in plant and insect food resources consumed by chimpanzees (Pan troglodytes schweinfurthii) in Gombe National Park, Tanzania
Authors: Shimwa Axelle Kamanzi , Murray Carson M. , Nelson Rachel S. , Nockerts Rebecca S. , Power Michael L. , O'Malley Robert C.
Published: June 2024

Objectives

Many nonhuman primate diets are dominated by plant foods, yet plant tissues are often poor sources of sodium—a necessary mineral for metabolism and health. Among primates, chimpanzees (Pan troglodytes), which are ripe fruit specialists, consume diverse animal, and plant resources. Insects have been proposed as a source of dietary sodium for chimpanzees, yet published data on sodium values for specific foods are limited. We assayed plants and insects commonly eaten by chimpanzees to assess their relative value as sodium sources.

Materials and Methods

We used atomic absorption spectroscopy to determine sodium content of key plant foods and insects consumed by chimpanzees of Gombe National Park, Tanzania. Dietary contributions of plant and insect foods were calculated using feeding observational data.

Results

On a dry matter basis, mean sodium value of plant foods (n = 83 samples; mean = 86 ppm, SD = 92 ppm) was significantly lower than insects (n = 12; mean = 1549 ppm, SD = 807 ppm) (Wilcoxon rank sum test: W = 975, p < 0.001). All plant values were below the suggested sodium requirement (2000 ppm) for captive primates. While values of assayed insects were variable, sodium content of two commonly consumed insect prey for Gombe chimpanzees (Macrotermes soldiers and Dorylus ants) were four to five times greater than the highest plant values and likely meet requirements.

Discussion

We conclude that plant foods available to Gombe chimpanzees are generally poor sources of sodium while insects are important, perhaps critical, sources of sodium for this population.
A Strategy for Preparing Quantum Squeezed States Using Reinforcement Learning
Authors: Zhao Xiaolong , Zhao Yiming , Li Ming , Li Tingting , Liu Qian , Guo Shuai , Yi Xuexi
Published: June 2024

A scheme leveraging reinforcement learning to engineer control fields for generating non‐classical states is proposed. It is exemplified by the application to prepare spin‐squeezed states for an open collective spin model where a linear control field is designed to govern the dynamics. The reinforcement learning agent determines the temporal sequence of control pulses, commencing from a coherent spin state in an environment characterized by dissipation and dephasing. Compared to the constant control scenario, this approach provides various control sequences maintaining collective spin squeezing and entanglement. It is observed that denser application of the control pulses enhances the performance of the outcomes. However, there is a minor enhancement in the performance by adding control actions. The proposed strategy demonstrates increased effectiveness for larger systems. Thermal excitations of the reservoir are detrimental to the control outcomes. Feasible experiments are suggested to implement this control proposal based on the comparison with the others. The extensions to continuous control problems and another quantum system are discussed. The replaceability of the reinforcement learning module is also emphasized. This research paves the way for its application in manipulating other quantum systems.
Alkene Isomerisation Catalysed by a Superbasic Sodium Amide
Authors: Tortajada Andreu , Righetti Gian Luca , McGinley Ana , Mu Manting , García‐Melchor Max , Hevia Eva
Published: June 2024

Typically catalysed by transition metals, alkene isomerisation is a powerful methodology for preparation of internal olefins. In contrast, the use of more earth abundant main group reagents is limited to activated substrates, requiring high temperatures and excess stoichiometric amounts. Opening a new avenue for progressing this field, here we report applications of bulky sodium amide NaTMP (TMP=2,2,6,6‐tetramethylpiperidide) when partnered with tridentate Lewis donor PMDETA (N,N,N′,N′′,N’’‐pentamethyldiethylenetriamine) in catalytic alkene isomerisation of terminal olefins under mild reaction conditions. An array of distinct olefins could successfully be isomerised, including unactivated olefins, allylamines, and allylethers, showing the high activity of this partnership. In‐depth mechanistic insights provided by X‐ray crystallography, real‐time nuclear magnetic resonance (NMR) monitoring, and density functional theory (DFT) calculations have unveiled the crucial role of in situ‐generated TMP(H) in facilitating efficient isomerisation, and the choice of alkali‐metal. Additionally, theoretical studies shed light on the observed E/Z selectivity, particularly accounting for the selective formation of Z‐vinyl ethers. The versatility of our method is further demonstrated through the isomerisation of unactivated cycloalkenes, which undergo hydrogen isotope exchange to produce deuterated compounds.
Optical Relay Sensing of Cryptochiral Alcohols Displaying α‐, β‐, γ‐ and δ‐Stereocenters or Chirality by Virtue of Isotopic Substitution
Authors: Formen Jeffrey S. S. K. , Wolf Christian
Published: June 2024

A reaction‐based optical relay sensing strategy that enables accurate determination of the concentration and enantiomeric ratio (er) of challenging chiral alcohols exhibiting stereocenters at the α‐, β‐, γ‐ or even δ‐position or hard‐to‐detect cryptochirality arising from H/D substitution is described. This unmatched application scope is achieved with a conceptually new sensing approach by which the alcohol moiety is replaced with an optimized achiral sulfonamide chromophore to minimize the distance between the covalently attached chiroptical reporter unit and the stereogenic center in the substrate. The result is a remarkably strong, red‐shifted CD induction that increases linearly with the sample er. The CD sensing part of the tandem assay is seamlessly coupled to a redox reaction with a quinone molecule to generate a characteristic UV response that is independent of the enantiopurity of the alcohol and thus allows determination of the total analyte concentration. The robustness and utility of the CD/UV relay are further verified by chromatography‐free asymmetric reaction analysis with small aliquots of crude product mixtures, paving the way toward high‐throughput chiral compound screening workflows which is a highly sought‐after goal in the pharmaceutical industry.
Implementation and Characterization of the Dice Lattice in the Electron Quantum Simulator
Authors: Tassi Camillo , Bercioux Dario
Published: June 2024

Materials featuring touching points, localized states, and flat bands are of great interest in condensed matter and artificial systems due to their implications in topology, quantum geometry, superconductivity, and interactions. In this theoretical study, the experimental realization of the dice lattice with adjustable parameters is proposed by arranging carbon monoxide molecules on a two‐dimensional (2D) electron system at a (111) copper surface. First, a theoretical framework is developed to obtain the spectral properties within a nearly free electron approximation and then compare them with tight‐binding calculations. This investigation reveals that the high mobility of Shockley state electrons enables an accurate theoretical description of the artificial lattice using a next‐nearest‐neighbor tight‐binding model, resulting in the emergence of a touching point, a quasi‐flat band, and localized lattice site behavior in the local density of states. Additionally, theoretical results for a long‐wavelength low‐energy model that accounts for next‐nearest‐neighbor hopping terms are presented. Furthermore, the model's behavior under an external magnetic field is theoretically examined by employing Peierl's substitution, a commonly used technique in theoretical physics to incorporate magnetic fields into lattice models. The theoretical findings suggest that, owing to the exceptional electron mobility, the highly degenerate eigenenergy associated with the Aharonov‐Bohm caging mechanism may not manifest in the proposed experiment.
Observation of Magnetic Field‐Induced and Partially Switchable Electric Polarization in Spin‐Chain FePbBiO4
Authors: Tiwari Ajay , Kakarla D. Chandrasekhar , Chen Wei‐Lin , Dhanasekhar C. , Hu Ya‐Jing , Lin Jiunn‐Yuan , Wang Chin‐Wei , Kuo Ting‐Wei , Pal Arkadeb , Chou Mitch Ming‐Chi , Yang Hung‐Duen
Published: June 2024

The linear magnetoelectric (ME) characteristics of a quasi‐1D spin‐chain compound, FePbBiO4, are reported. Two distinct antiferromagnetic (AFM) orders occurring at ≈23 K (TN1) and 12 K (TN2) are verified using magnetization, specific heat, and conspicuous dielectric (ε′) anomalies. A striking observation is that no pyrocurrent (Ipy) is detected in the absence of magnetic field (H); however, H‐induced ferroelectric polarization (P) at TN1 and P unexpectedly partially switches or reverses below TN2 as reproduced by applying positive and negative electric fields (E). The resulting magnetic field and temperature (H‐T) phase diagram illustrates T‐dependent H‐induced spin reorientation and electric P. The interaction between T, H, spin dynamics, and lattice structures is pivotal and is qualitatively discussed and proposed as an explanation for the observed ME nature.
Imidazole‐thiadiazole hybrids: A multitarget de novo drug design approach, in vitro evaluation, ADME/T, and in silico studies
Authors: Maqbool Maryam , Solangi Mehwish , Khan Khalid M. , Özil Musa , Baltaş Nimet , Salar Uzma , Tariq Syeda S. , Haq Zaheer Ul , Taha Muhammad
Published: June 2024

A library of imidazole‐thiadiazole compounds (1–24) was synthesized to explore their therapeutic applications. The compounds were subjected to meticulous in vitro evaluation against α‐glucosidase, α‐amylase, acetylcholinesterase (AChE), and butylcholinesterase (BChE) enzymes. Compounds were also investigated for antioxidant activities using cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), and 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) assays. Derivatives 5–7, 9–11, 18, and 19 displayed potent inhibitory activities with IC50 values of 1.4 ± 0.01 to 13.6 ± 0.01 and 0.9 ± 0.01 to 12.8 ± 0.02 µM against α‐glucosidase, and α‐amylase enzymes, respectively, compared to the standard acarbose (IC50 = 14.8 ± 0.01 µM). Compounds 11–13, 16, 20, and 21 exhibited potent activity IC50 = 8.6 ± 0.02 to 34.7 ± 0.03 µM against AChE enzyme, compared to donepezil chloride (IC50 = 39.2 ± 0.05 µM). Compound 21 demonstrated comparable inhibition IC50 = 45.1 ± 0.09 µM against BChE, compared to donepezil chloride (IC50 = 44.2 ± 0.05 µM). All compounds also demonstrated excellent antioxidant activities via CUPRAC, FRAP, and DPPH methods. Complementing the experimental studies, extensive kinetics, ADME/T, and molecular docking analysis were also conducted to unravel the pharmacokinetics and safety profiles of the designed compounds. These studies supported the experimental findings and facilitated the prioritization of hit candidates for subsequent stages of drug development.
Municipal Solid and Plastic Waste Co‐pyrolysis Towards Sustainable Renewable Fuel and Carbon Materials: A Comprehensive Review
Authors: Razzak Shaikh Abdur
Published: June 2024

The substantial rise in global energy demand, propelled by industrial expansion, population growth, and transportation needs, poses a formidable challenge. The concurrent urbanization places pressure on the disposal of solid municipal solid waste and the management of plastic waste. Addressing the global waste crisis requires innovative and sustainable garbage disposal solutions with an environmentally friendly approach. This review tackles the challenges of worldwide waste management, focusing on renewable and sustainable fuels and waste recycling through the exploration of co‐pyrolysis as an innovative method. It explores the characteristics and environmental impact of municipal solid waste (MSW) and plastic waste (PW), delving into pyrolysis fundamentals, processes, and challenges. The primary emphasis is on co‐pyrolysis, elucidating its integration of municipal and plastic waste, synergistic effects, and advantages. The manuscript thoroughly analyzes reaction kinetics, thermodynamics, and the feasibility of co‐pyrolysis for energy recovery. It also delves into the synthesis of renewable fuels and valuable chemical intermediates, considering optimization of product distribution. Environmental and economic sustainability aspects, including impact assessment, greenhouse gas emissions, life cycle analysis, and cost analysis of co‐pyrolysis processes, are comprehensively investigated. The review underscores the economic benefits of renewable fuel and chemical materials synthesis. The conclusion addresses challenges, proposes future directions, outlines limitations, technical challenges, environmental considerations, and recommends further exploration and integration with other waste management techniques. The manuscript emphasizes the ongoing importance of research in this critical field, aiming to contribute to the development of effective solutions for the escalating global waste management crisis.
Peroxydisulfate‐based Non‐radical Oxidation of Rhodamine B by Fe‐Mn Doped Granular Activated Carbon: Kinetics and Mechanism Study
Authors: Wu Jiahua , Yang Xuan , Xu Dong , Ong Say Leong , Hu Jiangyong
Published: June 2024

While numerous persulfate‐based advanced oxidation processes (AOPs) have been studied based on fancy catalysts, the practical combination of Fe or Mn modified granular activated carbon (GAC) has seldom been investigated. The present study focused on a green and readily synthesized Fe−Mn bimetallic oxide doped GAC (Fe−Mn@GAC), to uncover its catalytic kinetics and mechanism when used in the peroxydisulfate (PDS)‐based oxidation process for degrading Rhodamine B (RhB), a representative xenobiotic dye. The synthesized Fe−Mn@GAC was characterized by SEM‐EDS, XRD, ICP‐OES and XPS analyses to confirm its physicochemical properties. The catalytic kinetics of Fe−Mn@GAC+PDS system were evaluated under varying conditions, including PDS and catalyst dosages, solution pH, and the presence of anions. It was found Fe−Mn@GAC exhibited robust catalytic performance, being insensitive to a wide pH range from 3 to 11, and the presence of anions such as Cl−, SO42−, NO3− and CO32−. The catalytic mechanism was investigated by EPR and quenching experiments. The results indicated the catalytic system processed a non‐radical oxidation pathway, dominated by direct electron transfer between RhB and Fe−Mn@GAC, with singlet oxygen (1O2) playing a secondary role. The catalytic system also managed to maintain a RhB removal above 81 % in successive 10 cycles, and recover to 89.5 % after simple DI water rinse, showing great reusability. The catalytic system was further challenged by real dye‐containing wastewater, achieving a decolorization rate of 84.5 %. This work not only provides fresh insight into the kinetics and mechanism of the Fe−Mn@GAC+PDS catalytic system, but also demonstrates its potential in the practical application in real dye‐containing wastewater treatment.
Silicon Anodes for Lithium‐Ion Batteries Based on a New Polyimide Binder
Authors: Lusztig David , Luski Shalom , Shpigel Netanel , Vangapally Naresh , Aurbach Doron
Published: June 2024

Silicon is a promising candidate for replacing graphite in anodes for advanced Li‐ion batteries due to its high theoretical gravimetric energy density. However, silicon as an active anode material suffers from significant volume changes upon lithiation/delithiation, causing fast capacity fading. The performance of silicon anodes depends on the polymeric binders used, which form well‐bound Si particles matrices that accommodate the strains developed during their repeated lithiation, thus maintaining their integrity.
Preparation and characterization of bis‐phosphonated polycarbohydrates
Authors: Sadowska Kamila , Prześniak‐Welenc Marta , Łapiński Marcin
Published: June 2024

A simple, cost‐effective, one‐pot method was proposed to introduce bis‐phosphonic groups onto alginic acid and carboxymethyl cellulose (CMC). New derivatives were characterized by means of nuclear magnetic resonance, X‐ray photoelectron, and attenuated total reflectance Fourier transform infrared spectroscopy. These analyses confirmed the successful transformation of carboxylic groups present in alginic acid and CMC into bis‐phosphonic groups. Additionally, thermogravimetric analysis coupled with differential scanning calorimetry was employed to investigate the thermal properties of the bis‐phosphonic derivatives of alginate and CMC. The results clearly demonstrate the char‐forming ability of both studied bis‐phosphonated polycarbohydrates, suggesting their potential as intumescent materials.
Screening and analysis of the targeted compounds in Choerospondias axillaris extract by receptor chromatographic column with immobilized angiotensin II type 1 receptor
Authors: Ji Xu , Li Liangxi , Zhang Kaiyue , Yuan Xinyi , Li Qian , Bai Ge
Published: June 2024

As a result of the lack of modern techniques, the study of Tibetan medicine has been hindered in identifying bioactive compounds. Herein, we established a chromatographic approach using an immobilized angiotensin II type 1 receptor (AT1R) via a one‐step method triggered by haloalkane dehalogenase. The bioactive compounds from Choerospondias axillaris (Guangzao) were screened and identified using the immobilized AT1R followed by MS. Frontal analysis (FA) and adsorption energy distribution (AED) were used to evaluate the association constants. Molecular docking was used to investigate the binding configurations, and the surface efficiency index, binding efficiency index, and ligand‐lipophilicity efficiency (LLE) were calculated to assess the drug‐like properties. The results identified naringenin, pinocembrin, and chrysin as the compounds that specifically bind to AT1R in Guangzao. FA and AED confirmed that there is only one type of binding site between these compounds and AT1R. The association constants were (2.40 ± 0.02) × 104 M−1 for naringenin (5.22 ± 0.26) × 104 M−1 for pinocembrin, and (4.27 ± 0.14) × 104 M−1 for chrysin, respectively. These compounds can bind with AT1R through the orthosteric binding pocket. Naringenin exhibited better LLE than pinocembrin and chrysin. These results confirmed the feasibility of using the immobilized AT1R column for screening and analyzing bioactive compounds in Tibetan medicines.
Murdering the person closest to you: Similarities and differences between intimate partner sexual homicide and non‐intimate partner sexual homicide
Authors: Czarnietzki Marie , Ricono‐Kaufhold Sophia , Darjee Rajan , Davis Michael , Nanev Aleshia
Published: June 2024

Sexual homicides (SHs) demand nuanced research for effective prevention, treatment, risk assessment and theoretical insights. Intimate‐partner sexual homicides (IPSHs), comprising approximately 20% of SHs, have received limited attention. This study compares IPSHs (n = 56) and non‐intimate partner sexual homicides (NIPSHs) (n = 236) in Australia and New Zealand by investigating offender, victim, and crime‐scene characteristics. While IPSH perpetrators were typically older, separated, and had prior domestic violence convictions, victims were more often non‐white with histories of domestic violence and substance use. Although crime‐scene locations and post‐offence behaviours differed, similar crime scene behaviours were displayed across offender groups, which seemed to be routed in different underlying motives. Whereas drivers of IPSH commonly were grievance and anger, associated with offences occurring after arguments, drivers for NIPSH were more often sexual deviance and sadism. Overall, IPSH encompasses aspects of domestic violence, homicide, and sexual violence, distinguishing it from SH.
Differential effects of a brief body scan session on pain and anxiety levels
Authors: Bouchard Geneviève , Gallant Janelle
Published: June 2024

Objective

This study aimed to examine the impact of a brief body scan session on individuals' anxiety and pain levels considering individuals' levels of symptom severity (low vs. high).

Method

The sample was composed of 355 undergraduate or graduate students. Participants completed a series of questionnaires, performed a 14‐min body scan exercise and completed some of the questionnaires a second time. Two questionnaires were aimed at identifying individuals reporting high and low levels of symptomatology (i.e. anxiety and somatic symptoms) in their everyday life, while other questionnaires were aimed at assessing the effectiveness of the body scan session in reducing current symptoms.

Results

As hypothesised, body scanning was more effective in decreasing anxiety and pain for students with high‐symptom severity than for those with low‐symptom severity.

Discussion

We demonstrated that individuals with high levels of symptoms, and especially anxiety symptoms, can benefit from a brief form of body scan.
Workplace inclusion: Exploring employer perceptions of hiring employees with disability
Authors: Antonopoulos Christine R. , Sugden Nicole , Saliba Anthony
Published: June 2024

The unemployment rate for people with disability in Australia has remained unchanged for decades, despite policy and strategy focus. Therefore, understanding perceptions of those making hiring decisions is important. This research used a qualitative approach interviewing 13 participants who made hiring decisions. Reflexive thematic analysis uncovered four themes about altruistic hiring motivations, organisational culture barriers, sharing of disability during the hiring process, and negative emotions towards disability. There were distinct perspectives between people with and without experience of disability. People without experience tended to encourage early sharing of disability in the hiring process, cite organisational culture as a barrier, and shared strong negative emotions towards people with disability. People with experience of disability tended to prioritise autonomy of people with disability in sharing during the hiring process, and an intersectional approach to improve organisational culture. Regardless of disability experience, participants tended to share altruistic motives for hiring people with disability, despite this potentially contributing to the maintenance of power dynamics. Future research should continue to explore personal attributes and decision making of employers, ideally conducted by people with lived experience of disability. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Phytochemical Analysis and Anti‐dyslipidemia and Antioxidant Activities of Pluchea dioscoridis: In Vitro, In Silico and In Vivo Studies
Authors: Sultan Wageha S. , Mahmoud Ayman M. , Ahmed Shimaa A. , Alruhaimi Reem S. , Alzoghaibi Mohammed A. , El‐Bassuony Ashraf A. , Hasona Nabil A. , Kamel Emadeldin M.
Published: June 2024

Pluchea dioscoridis (L.) DC. is a flowering wild plant used traditionally in the treatment of rhematic disorders. This study investigated the phytochemical and in vitro radical scavenging activity (RSA), and in vivo anti‐hyperlipidemic, antioxidant and anti‐inflammatory properties of P. dioscoridis. The antihyperlipidemic efficacy was determined in a rat model of dyslipidemia. The extract and fractions of P. dioscoridis showed RSA with the ethyl acetate (EA) fraction exhibiting the most potent activity. The phytochemical analysis of P. dioscoridis EA fraction (PDEAF) led to the isolation of five compounds (lupeol, quercetin, lupeol acetate, stigmasterol, and syringic acid). To evaluate its anti‐hyperlipidemic effect, three doses of PDEAF were supplemented to rats for 14 days and poloxamer‐407 was administered on day 15 to induce dyslipidemia. All doses of PDEAF decreased plasma triglycerides, cholesterol, low‐density lipoprotein‐cholesterol (LDL−C) and very low‐density lipoprotein‐cholesterol (vLDL−C), and increased plasma lipoprotein lipase (LPL). PDEAF upregulated hepatic LDL receptor and suppressed 3‐hydroxy‐3‐methylglutaryl coenzyme A (HMG‐CoA) reductase, decreased lipid peroxidation and tumor necrosis factor (TNF)‐α and enhanced reduced glutathione (GSH) and enzymatic antioxidants in dyslipidmeic rats. In silico findings revealed the binding affinity of the isolated compounds towards LPL, HMG‐CoA reductase, and LDL receptor. In conclusion, P. dioscoridis is rich in phytoconstituents, exhibited RSA and its EA fraction effectively prevented acute dyslipidemia and its associated oxidative stress and inflammatory response.
Simplified balloon‐BASILICA: A different perspective
Authors: Azzola Guicciardi Nicolò , Buzzatti Nicola , Saccocci Matteo , Maisano Francesco
Published: June 2024

Nowadays, the long‐life management of patients with aortic stenosis has emerged as one of the most debated issues. Transcatheter aortic valve replacement is more frequently performed in younger patients with lower surgical risk, and also the number of valve‐in‐valve (ViV) procedures has increased in the last few years. However, coronary obstruction is the most dreadful complication related to this procedure. To prevent coronary obstruction in the context of transcatheter aortic ViV implantation, the BASILICA (bioprosthetic or native aortic scallop intentional laceration to prevent iatrogenic coronary artery obstruction) technique was developed. Although effective, BASILICA is complex and time‐consuming. Hence, simpler, reproducible, and faster strategies are desirable. Here we present a promising simplified BASILICA technique employing an Armada Balloon to perform the leaflet laceration.
Amino‐Montmorillonite Crystalline Clay as Electrode Modifier for Electrochemical Detection of Ciprofloxacin in Presence of Cetyltrimethylammonium Bromide
Authors: Dongmo Liliane Medonbou , Pecheu Chancellin Nkepdep , Jiokeng Sherman Lesly Zambou , Dzuibo Simonne Rose Ngoutane , Djuffo Lottie Astree Yemene , Tajeu Kevin Yemele , Ngantchouko Claude Beranger Ngalemo , François Kanmangne , Tonle Ignas Kenfack
Published: June 2024

This research focused on harnessing amino‐functionalized montmorillonite (Mt) clay, achieved through the grafting of [3(2‐aminoethyl)amino]propyltrimethoxysilane (AEP‐TMS), as carbon paste electrode (CPE) modifier for the electroanalysis of ciprofloxacin (CF). The characterization of both Mt and the amino‐functionalized (Mt‐NH2) materials was carried out using various techniques including Fourier‐transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and X‐ray diffraction (XRD). Afterwards, various CPEs modified using Mt and Mt‐NH2 were prepared and characterized employing SEM‐energy dispersive X‐ray (EDX), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). By EIS, Mt‐NH2‐CPE exhibited significantly faster electron transfer with lower charge‐transfer resistance (438.5 Ω) compared to Mt‐CPE (3572.1 Ω) and to the bare CPE (2066.1 Ω). Additionally, CV experiments performed by using redox probes demonstrated the excellent accumulation capability of [Fe(CN)6]3− ions on Mt‐NH2‐CPE surface. The Mt‐NH2‐CPE was subsequently applied using square wave voltammetry to determine CF in the presence of cetyltrimethylammonium bromide (CTAB), yielding an impressive linear range from 30 to 240 μM (R=0.999) and a low detection limit of 0.07 μM (23.2 μg L−1). The method exhibited stable and reproducible responses (RSD=3.25 %; n= 6) under optimized conditions. Following interference studies, the optimized method was effectively applied to quantify CF concentrations in pharmaceutical and water samples.
Modulating Helix‐Preference of an Axially‐Twisted Molecular Scaffold Through Diastereomeric Salt Formation with Tartaric Acid Stereoisomers
Authors: Kumar Sharma Akash , Som Shubham , Chopra Deepak , Srivastava Aasheesh
Published: June 2024

Herein, we designed a chiral, axially‐twisted molecular scaffold (ATMS) using pyridine‐2,6‐dicarboxamide (PDC) unit as pivot, chiral trans‐cyclohexanediamine (CHDA) residues as linkers, and pyrene residues as fluorescent reporters. R,R‐ATMS exclusively adopted M‐helicity and produced differential response in UV‐vis, fluorescence, and NMR upon addition of tartaric acid (TA) stereoisomers allowing naked‐eye detection and enantiomeric content determination. Circular dichroism (CD) profile of R,R‐ATMS underwent unique changes during titration with TA stereoisomers ‐ while loss of CD signal at 345 nm was observed with equimolar D‐TA and meso‐TA, inversion was seen with equimolar L‐TA. Temperature increase weakened these interactions to partially recover the original CD signature of R,R‐ATMS. 2D NMR studies also indicated the significant structural changes in R,R‐ATMS in the solution state upon addition of L‐TA. Single crystal X‐ray diffraction (SCXRD) studies on the crystals of the R,R‐ATMS⊃D‐TA salt revealed the interacting partners stacked in arrays and ATMS molecules stabilized by π‐π stacking between its PDC and pyrene residues. Contrastingly, tightly‐packed supramolecular cages comprised of four molecules each of R,R‐ATMS and L‐TA were seen in R,R‐ATMS⊃L‐TA salt, and the ATMS molecules contorted to achieve CH‐π interactions between its pyrene residues. These results may have implications in modulating the helicity of topologically‐similar larger biomolecules.
The Plaque Analysis Classifies the Coronary Artery Disease‐Reporting and Data System (CAD‐RADS) Stenosis and Plaque Burden Categories: Association of the Plaque Features, Fat Attenuation Index, Coronary Computed Tomography Fractional Flow Reserve, and the Combination of Stenosis and Calcification
Authors: Chen Wenxi , Nie Jiyan , Zhang Mingyu , Zhu Zhi , Zhou Yuanyong , Wu Qingde , He Xuxia
Published: June 2024

Background

The coronary artery disease‐reporting and data system (CAD‐RADS) 2.0 is used to standardize the reporting of coronary computed tomography angiography (CCTA) results. Artificial intelligence software can quantify the plaque composition, fat attenuation index, and fractional flow reserve.

Objective

To analyze plaque features of varying severity in patients with a combination of CAD‐RADS stenosis and plaque burden categorization and establish a random forest classification model.

Methods

The data of 100 patients treated between April 2021 and February 2022 were retrospectively collected. The most severe plaque observed in each patient was the target lesion. Patients were categorized into three groups according to CAD‐RADS: CAD‐RADS 1−2 + P0−2, CAD‐RADS 3−4B + P0−2, and CAD‐RADS 3−4B + P3−4. Differences and correlations between variables were assessed between groups. AUC, accuracy, precision, recall, and F1 score were used to evaluate the diagnostic performance.

Results

A total of 100 patients and 178 arteries were included. The differences of computed tomography fractional flow reserve (CT‐FFR) (H = 23.921, p < 0.001), the volume of lipid component (H = 12.996, p = 0.002), the volume of fibro‐lipid component (H = 8.692, p = 0.013), the proportion of lipid component volume (H = 22.038, p < 0.001), the proportion of fibro‐lipid component volume (H = 11.731, p = 0.003), the proportion of calcification component volume (H = 11.049, p = 0.004), and plaque type (χ2 = 18.110, p = 0.001) was statistically significant.

Conclusion

CT‐FFR, volume and proportion of lipid and fibro‐lipid components of plaques, the proportion of calcified components, and plaque type were valuable for CAD‐RADS stenosis + plaque burden classification, especially CT‐FFR, volume, and proportion of lipid and fibro‐lipid components. The model built using the random forest was better than the clinical model (AUC: 0.874 vs. 0.647).
Analysis of the effect of inert gas on alveolar/venous blood partial pressure by using the operator splitting method
Authors: Jyoti  , Kwak Soobin , Ham Seokjun , Hwang Youngjin , Kang Seungyoon , Kim Junseok
Published: June 2024

This study aims to investigate how inert gas affects the partial pressure of alveolar and venous blood using a fast and accurate operator splitting method (OSM). Unlike previous complex methods, such as the finite element method (FEM), OSM effectively separates governing equations into smaller sub‐problems, facilitating a better understanding of inert gas transport and exchange between blood capillaries and surrounding tissue. The governing equations were discretized with a fully implicit finite difference method (FDM), which enables the use of larger time steps. The model employed partial differential equations, considering convection‐diffusion in blood and only diffusion in tissue. The study explores the impact of initial arterial pressure, breathing frequency, blood flow velocity, solubility, and diffusivity on the partial pressure of inert gas in blood and tissue. Additionally, the effects of anesthetic inert gas and oxygen on venous blood partial pressure were analyzed. Simulation results demonstrate that the high solubility and diffusivity of anesthetic inert gas lead to its prolonged presence in blood and tissue, resulting in lower partial pressure in venous blood. These findings enhance our understanding of inert gas interaction with alveolar/venous blood, with potential implications for medical diagnostics and therapies.
Long‐Term Outcomes of Sacubitril/Valsartan in Heart Failure with Reduced Ejection Fraction and Coexisting End‐Stage Renal Disease
Authors: Lin Wan‐Ying , Shao Yu‐Hsuan Joni , Chiang Andy F. , Huang Chih‐Chieh , Chiang Kim F. , Chan Chao‐Shun , Huang Chun‐Yao , Hsiao Bu‐Yuan
Published: June 2024

Sacubitril/valsartan (Entresto) has proven therapeutic effects in heart failure (HF) patients, but its impact on those with advanced chronic kidney disease (CKD) remains unclear, particularly in HF patients with coexisting end‐stage renal disease (ESRD). This study aims to assess the long‐term survival of patients with heart failure with reduced ejection fraction (HFrEF) and coexisting ESRD treated with sacubitril/valsartan. A retrospective cohort study included 2,860 HFrEF and ESRD patients between January 2008 and December 2020. After propensity score matching, data from a sacubitril/valsartan group (n = 61) and a candesartan or valsartan group (n = 117) were analyzed. Patients on sacubitril/valsartan for at least 9 months had significantly lower 5‐year all‐cause mortality (39.3%) compared with the non‐sacubitril/valsartan group (54.7%) (HR 0.46; 95% CI, 0.25–0.82; P = 0.0094). Left ventricular ejection fraction (LVEF) improvement after 3 years in the sacubitril/valsartan group (14.51 ±18.98) was significantly greater than the non‐sacubitril/valsartan group (6.91 ±18.44) (P = 0.0408). Average hospitalizations in sacubitril/valsartan and non‐sacubitril/valsartan groups were 1.39 and 0.97, respectively (incidence rate ratio, 1.59; 95% CI, 0.90–2.82; P = 0.1106). Sacubitril/valsartan treatment demonstrated significantly lower 5‐year mortality rates and greater LVEF improvement in HFrEF patients with coexisting ESRD compared with candesartan or valsartan. These findings suggest that sacubitril/valsartan is a beneficial treatment option for this patient population.
Molecular Point‐of‐Care Assay Development: Design and Considerations
Authors: Hassman Ashley , Rouchka Colby , Sunino Diego , Espinal Felix Veloz , Youssef Mona , Casey Renee Richie
Published: June 2024

Molecular diagnostic point‐of‐care (MDx POC) testing is gaining momentum and is increasingly important for infectious disease detection and monitoring, as well as other diagnostic areas such as oncology. Molecular testing has traditionally required high‐complexity laboratories. Laboratory testing complexity is determined by utilizing the Clinical Laboratory Improvement Amendments of 1988 (CLIA) Categorization Criteria scorecard, utilizing seven criteria that are scored on a scale of one to three. Previously, most commercially available point‐of‐care (POC) tests use other analytes and technologies that were not found to be highly complex by the CLIA scoring system. However, during the COVID‐19 pandemic, MDx POC testing became much more prominent. Utilization during the COVID‐19 pandemic has demonstrated that MDx POC testing applications can have outstanding advantages compared to available non‐molecular POC diagnostic tests. This article introduces MDx POC testing to students, technologists, researchers, and others, providing a general algorithm for MDx POC test development. This algorithm is an introductory, step‐by‐step decision tree for defining a molecular POC diagnostic device meeting the functional requirements for a desired application. The technical considerations driving the decision‐making include nucleic acid selection method (DNA, RNA), extraction methods, sample preparation, number of targets, amplification technology, and detection method. The scope of this article includes neither higher‐order multiplexing, nor quantitative molecular analysis. This article covers key application considerations, such as sensitivity, specificity, turnaround time, and shipping/storage requirements. This article provides an overall understanding of the best resources and practices to use when developing a MDx POC assay that may be a helpful resource for readers without extensive molecular testing experience as well as for those who are already familiar with molecular testing who want to increase MDx availability at the POC. © 2024 Wiley Periodicals LLC.