bluuebunny/crossref_metadata_2025 huggingface dataset:
Multi‐instance learning for identifying high‐risk subregions associated with synchronous distant metastasis in clear cell renal cell carcinoma
Authors: Xue Ling‐Feng , Zhang Xiao‐Long , Tang Yong‐Fu , Wei Bo‐Hua
Published: October 2024

Background

Clear cell renal cell carcinoma (ccRCC) is one of the most common histological subtypes of renal tumors.

Purpose

To identify high‐risk subregions associated with synchronous distant metastasis.

Methods

This study enrolled a total of 277 patients with ccRCC. Voxel intensity and local entropy values were compiled within the region of interest for all patients. Unsupervised k‐means clustering yielded three subregions per tumor. Radiomic features were extracted, and random forest‐based feature selection was conducted. The selected features were used in a multi‐instance support vector machine (mi‐SVM) model for training, and predictions were made on the validation cohort. Model performance was evaluated using five‐fold cross‐validation. The subregion with the highest score for patients with synchronous distant metastasis was identified across all cohorts.

Results

The mi‐SVM model yielded an average area under the curve (AUC) of 0.812 in the training cohort and 0.805 in the validation cohort. In the entire cohort of patients with synchronous distant metastasis, subregion 2, characterized by tumor periphery and intratumoral transitional components, accounted for the highest proportion (48.57%, 30.6/63) among all subregions. It represents a high‐risk subregion for synchronous distant metastasis of clear cell renal cell carcinoma.

Conclusion

The peripheral and intratumoral transition zones of clear cell renal cell carcinoma are high‐risk subregions associated with synchronous distant metastasis.
Optimal error‐detection system for identifying codes
Authors: Jean Devin C. , Seo Suk J.
Published: October 2024

Assume that a graph models a detection system for a facility with a possible “intruder,” or a multiprocessor network with a possible malfunctioning processor. We consider the problem of placing detectors at a subset of vertices in to determine the location of an intruder if there is any. Many types of detection systems have been defined for different sensor capabilities; in particular, we focus on identifying codes, where each detector can determine whether there is an intruder within its closed neighborhood. In this research we explore a fault‐tolerant variant of identifying codes applicable to real‐world systems. Specifically, error‐detecting identifying codes permit a false‐negative transmission from any single detector. We investigate minimum‐sized error‐detecting identifying codes in several classes of graphs, including cubic graphs and infinite grids, and show that the problem of determining said minimum size in arbitrary graphs is NP‐complete.
Topology‐preserving phase‐field modeling of elastic bending energy
Authors: Poudel Sanjeeb , Wang Xiaoqiang
Published: October 2024

In vesicle membranes, the minimum of the elastic bending energy determines the equilibrium shape. We can reformulate the energy using a phase‐field function and optimize it using the standard gradient flow approach. The method, in its typical formulation, allows topological changes in the membrane; however, in certain events, like in the simulation of blood cells, maintaining the initial topology of the membrane is crucial. In this study, we add a constraint on the phase‐field method to preserve the topology. We note that even if the phase‐field method is formulated using a hyperbolic tangent function, during a change in topology, the membrane's profile deviates from the tanh function. Owing to this idea, the constraint imposes an additional requirement on the profile to maintain the tanh shape, thus preserving the topology. We perform extensive experiments in two‐dimensional and three‐dimensional scenarios to demonstrate that our method preserves the topology during the simulation.
Endoscope‐Assisted Transcervical Resection of Parapharyngeal Space Tumors
Authors: Smith Joshua D. , Chinn Steven B. , Sridharan Shaum , Contrera Kevin J. , Heft‐Neal Molly E. , Spector Matthew E.
Published: October 2024

Objective

We describe a novel technique for endoscope‐assisted (EA) transcervical (TC) approach for resection of parapharyngeal space (PPS) tumors and compare perioperative outcomes of this approach to standard TC approaches.

Study Design

Retrospective chart review.

Setting

Single tertiary care center.

Methods

This was a single‐institution, retrospective analysis of all patients undergoing TC approach for resection of PPS tumors over a 10‐year period. We describe unique advantages of our surgical approach utilizing a 0° endoscope for improved surgical access, visualization, and efficiency. χ2 and Student's t test were used to compare perioperative outcomes between cases in which an endoscope was utilized EA for resection versus standard TC approach.

Results

Our cohort included 77 patients (n = 40 EA, n = 37 TC). There was no difference in patient age, sex, tumor laterality, tumor size, or tumor location between groups. The EA approach was associated with significantly shorter operative times (median [range] for EA 73 [33‐270] minutes vs TC 112 [56‐362] minutes, P < .01) and reduced rates of immediate postoperative marginal mandibular nerve paresis (EA: n = 5 [12.5%] vs TC: n = 16 [43.2%], P < 0.01).

Conclusion

EA TC approach for resection of PPS tumors offers improved surgical access and is associated with reduced surgical time and rates of marginal mandibular nerve paresis compared to standard transcervical approaches.
The Relationship between Upper Esophageal Sphincter Manometry Function and Esophageal Motility Disorders
Authors: Hall Juliette , Gupta Milli , Buresi Michelle , Li Dorothy , Nasser Yasmin , Andrews Christopher N. , Woo Matthew , Randall Derrick R.
Published: October 2024

Objective

High‐resolution manometry (HRM) provides measures of esophageal function which are used to classify esophageal motility disorders based on the Chicago Classification system. Upper esophageal sphincter (UES) measures are obtained from HRM, but are not included in the classification system, rendering the relationship between UES measures and esophageal motility disorders unclear. Furthermore, changes in the acceptable amount of esophageal dysfunction between versions of this classification system has created controversy. The objective of this study was to determine the relationship between UES measures and esophageal function.

Study Design

Cross‐sectional study.

Setting

Referral centre.

Methods

HRM studies from the Calgary Gut Motility Center were reviewed for UES mean basal pressure, mean residual pressure, relaxation time‐to‐nadir, relaxation duration, and recovery time. Patients were grouped by number of failed swallows according to different iterations of the Chicago Classification: 0 to 4 (Group 1), 5 to 7 (Group 2), and 8 to 10 (Group 3).

Results

2114 patients (65.1% female, median age 56 y) were included. There were significant increases in UES mean basal pressure (P < .001), mean residual pressure (P < .001), relaxation duration (P < .001), and recovery time (P < .001) between groups. Positive correlations existed between number of failed swallows and UES mean basal pressure (r = 0.143; P < .001), mean residual pressure (r = 0.201; P < .001), relaxation duration (r = 0.145; P < .001), and recovery time (r = 0.168; P < .001).

Conclusions

Differences in UES measures exist among patients with failed swallows, with a positive correlation between UES dysfunction and increasing dysmotility. Our findings illustrate that UES measures are closely related to esophageal function, and that even minor esophageal dysfunction is related to UES dysfunction.
A char removal protocol to visualize fiber cross‐sections of carbon/epoxy composites subjected to flame
Authors: Madabhushi Abhijith , Pittman Charles U. , Lacy Thomas E. , Kundu Santanu , Priddy Matthew W.
Published: October 2024

Post‐crash fires obscure or destroy critical fracture surfaces needed to determine the origin of aircraft structural failures. Our goal is to eliminate combustion residue from carbon fiber‐reinforced polymer composites to enable fractographic examination during aviation accident investigations. In this work, combustion residues were removed from burned Hexcel SGP370‐8H/8552 woven‐fabric carbon/epoxy specimens by nitric/sulfuric acid oxidations. Scanning electron microscopy identified various types of char obscuring the fiber ends. For char removal, the burned specimens were immersed in a nitric acid/sulfuric acid/water solution (0.18 wt.%, 96.25 wt.%, 3.57 wt.%) at elevated temperatures (75–150°C). Higher temperatures enhanced nitric acid decomposition in this highly acidic, low‐water environment, accelerating char oxidation and progressively enhancing the extent of char removal. At lower temperatures (T < 100°C), char deposits were partially oxidized after 60 mins. At 125 and 150°C, the char was removed within 30 mins of immersion. The epoxy matrix both chemically decomposed and oxidized and the char oxidized during these oxidation treatments. Gas evolution and soluble products dissolved in the HNO3/H2SO4 media. The damage morphology created by the sawing action on the fiber ends, created before flame exposure, remained clearly visible after the acid oxidations. This occurs because oxidation rates at the carbon fiber ends are much slower than the char oxidation in these acid treatments. If the acid treatment temperature raised above 185°C, then this sawing‐induced fiber damage morphology will also be destroyed. This preliminary understanding can be applied to develop a comprehensive forensic analysis procedure for post‐crash fire investigations.

Highlights

Flame exposure of sawed specimen cross‐sections leads to char formation, obscuring fiber damage morphologies.

HNO3/H2SO4 oxidations at elevated temperatures (75–150°C) resulted in char removal from fiber ends.

Higher temperatures (T = 125 and 150°C) accelerated char oxidation.

The sawing of carbon/epoxy composites caused extensive fiber damage and ply delamination.

Residual decomposed resin matrix and char oxidized faster than the carbon fibers and the fiber sawing‐induced fiber damage morphologies created before flame exposure and were preserved after char removal.
The relationship between college students' belief in a just world and online prosocial behavior
Authors: Yang Yue , Zhan Jun , Liao Shanfang , Lian Rong , Fang Yiting
Published: October 2024

Previous studies have highlighted the critical role that the belief in a just world (BJW) plays in maintaining and promoting prosocial behaviors within individuals. Considered a stable personality trait, the crux of BJW lies in the conviction that individuals receive what they deserve, and deserve what they receive. Simultaneously, the relationship between BJW and prosocial behavior is impacted by an individual's sense of fairness or unfairness. However, past research has primarily focused on real‐life prosocial behavior, with limited exploration into the relationship between BJW and online prosocial behavior. This study, comprising a survey and an experiment, aimed to delve deeper into this relationship. The survey section randomly selected 4212 college students to examine how BJW correlates with online prosocial behavior. Findings predominantly revealed a significant positive correlation between online prosocial behavior and BJW. Additionally, the study explored how gender and place of origin influence these behaviors. Results showed that male students and those from urban areas exhibited significantly higher online prosocial behavior. The experimental research investigated the performance differences in online prosocial behaviors among college students under different fairness scenarios, revealing that the online prosocial behavior in an unfair situation was significantly higher than in fair or neutral situations. Furthermore, in unfair situations, a significant correlation was observed between BJW and online prosocial behavior. The findings from this study significantly advance our understanding of the dynamics between BJW and online prosocial behavior among college students, emphasizing that perceived injustices can markedly enhance prosocial behaviors in virtual settings. This study underscores the profound impact of fairness perceptions and highlights the modulating effects of gender and geographical background on online interactions.
Enhanced Threshold Voltage and Improved Subthreshold Swing Using NiOX/ITO Reverse Bias Gated Diamond pMOS
Authors: Ranie Seetha Jeyakumar , Pradhan Subrat Kumar , Shukla Vivek Kumar , Saha Kasturi , Rai Padmnabh , Ganguly Swaroop , Saha Dipankar
Published: October 2024

An increase in the device performance of diamond‐based p‐type metal–oxide–semiconductor (pMOS) transistors using a combination of p‐type nickel oxide and n‐type indium tin oxide (NiOX/ITO) reverse bias diode as the gate dielectric is reported. Negative threshold voltage pMOS transistors are desirable for digital circuits and power applications for fail‐safe operation. A Schottky gate‐based conventional diamond pMOS transistor suffers from many limitations, including a positive threshold voltage (VT). Herein, it is experimentally demonstrated that NiOX/ITO gate dielectric with Al gate contact circumvents many critical limitations, providing a negative threshold voltage of −1.2 V, improved subthreshold slope of 145 mV dec−1, current ON/OFF ratio >107, and peak gate leakage current reduction >103. An Al/NiOX‐based control gate structure shifts the VTH negative with improvements in crucial device performances. Adding a reverse bias junction through the Al/ITO/NiOX heterointerface with the Al metal gate further improves performance. The measured device characteristics are explained in a common framework of energy band diagram for all the devices.
Recent progress in metabolomics for analyzing common infertility conditions that affect ovarian function
Authors: Kobayashi Hiroshi , Imanaka Shogo
Published: October 2024

Background

Numerous efforts have been undertaken to identify biomarkers associated with embryo and oocyte quality to improve the success rate of in vitro fertilization. Metabolomics has gained traction for its ability to detect dynamic biological changes in real time and provide comprehensive metabolite profiles. This review synthesizes the most recent findings on metabolomic analysis of follicular fluid (FF) in clinical conditions leading to infertility, with a focus on the dynamics of energy metabolism and oocyte quality, and discusses future research directions.

Methods

A literature search was conducted without time constraints.

Main findings

The metabolites present in FF originate from five primary pathways: glycolysis, oxidative phosphorylation, lipid metabolism and β‐oxidation, nucleic acid synthesis, and ketogenesis. Metabolomic profiling can broadly categorize infertile women into two groups: those with infertility due to aging and endometriosis, and those with infertility associated with polycystic ovarian syndrome and obesity. In the former group, glycolysis and lipid metabolism are upregulated to compensate for mitochondrial dysfunction, whereas the latter group exhibits the opposite trend. Assessing the levels of glucose, pyruvate, lactate, and plasmalogens in FF may be valuable for evaluating oocyte quality.

Conclusion

Metabolomic analysis, particularly focusing on energy metabolism in FF, holds promise for predicting female reproductive outcomes.
Design, Synthesis, Computational Study, and Biological Evaluation of Sulfonyl Tethered Piperazine Derivatives as Antimicrobial Agents
Authors: Thopate Vijay , Dhawale Sachin A. , Kawale Ramesh , Gaikwad Dattatray , Hinge Harshada , Thopate Shankar , Shelke Sharad
Published: October 2024

Piperazine, a nitrogen‐containing heterocyclic compound, has potential in medical chemistry due to its versatile structure and ease of modification. Therefore, researchers have designed novel piperazine derivatives with various biological activities, including antiviral, antibacterial, and antifungal properties. In this study, a new series of 2‐(4‐((5‐bromo‐2‐methoxyphenyl)sulfonyl) piperazine‐1‐yl) acetamide derivatives (7a‐l) were synthesized and their structures were identified using 1H‐NMR, 13C‐NMR, and HRMS spectroscopic methods. The in vitro antimicrobial activity of these compounds was tested against four bacterial strains and two fungi strains. Some of the sulfonyl piperazine derivatives (7d, 7e, 7f, 7j, 7k, and 7l) exhibited relatively good antimicrobial and antifungal activities compared to standard drugs. Further analysis using computational docking confirmed strong binding interactions, aligning with our results. Our compounds exhibited improved potency compared to existing standard treatments.
Comprehensive Assessment of Antioxidant, Antimicrobial, and Cytotoxic Activities of Schiff Bases Synthesized from Phenyl Glyoxal: Insights from Molecular Docking and ADMET Analysis
Authors: Tomer Archana , Bansal Smriti , Vats Vishnu , Kumar Yogendra , Kumar Pravita , Sarkar Anjana
Published: October 2024

In this study, novel Schiff base, PTIEO and PABHP were synthesized using Phenyl Glyoxal as a major constituent and their structures were elucidated through modern spectroscopic techniques. Antioxidant assays were performed using DPPH and ABTS assays. Further, PTIEO and PABHP were subjected to in vitro biological evaluations against ESKAP pathogens. This investigation revealed significant antibacterial activity of both compounds, with MIC below 64 μg mL−1 against Staphylococcus aureus and 64 μg mL−1 against Acinetobacter baummanii. In molecular docking studies, PTIEO shows enhanced binding energy with Acinetobacter baumannii bacterial protein Diaminopimelate epimerase at −7.45 Kcal mol−1, while PABHP exhibited −8.32 Kcal mol−1 binding energy with NADH‐dependent enoyl‐ACP reductase. Additionally, PTIEO and PABHP demonstrated good binding energy with Sortase‐A of Staphylococcus aureus at −7.59 Kcal mol−1 and −8.75 Kcal mol−1, respectively. Moreover, antifungal capabilities of these compounds were evaluated against pathogenic fungi Candida Albicans, Candida Parapsilosis, and Candida tropicalis, highlighting their broad‐spectrum antimicrobial properties. Moreover, PABHP displayed cytotoxicity with an IC50 value of 23.50 μg mL−1, suggesting its safer administration. ADMET calculations were also performed to demonstrate their effectiveness. Overall, these experiments attribute to the significant therapeutic behavior of Schiff bases as comprehensive biomedical agents.
Polydopamine Nanoconjugate‐Coated Masks: An Efficient Barrier Against Airborne Pathogens
Authors: Singh Indu , Gautam Hemant K. , Kumar Pradeep , Dhawan Gagan
Published: October 2024

Current global burden of respiratory tract infections (RTIs) has thrown new challenges for researchers to design and develop efficient and multifaceted face masks. Airborne pathogens are highly transmissible through droplet nuclei/aerosol (<5 μm) which can be significantly reduced by wearing masks. Currently available disposable surgical masks have disparate limitations in terms of surface wettability, microbial penetration, dermal infections due to anaerobic reactions beneath the surface, discomfort, and eruption of chronic obstructive pulmonary diseases (COPD). These mask surfaces get contaminated with airborne pathogens along with commensal bacterial strains. Generation of high temperature and humidity during repetitive breathing allow bacteria to penetrate from the masks to respiratory tract causing serious complications. Till date, functionalized face masks with different microbicidal agents including nanomaterials experience restricted leaching of antimicrobial agents, cytotoxic effects, short‐lived microbicidal effects, inflammatory responses, negative impact on ecosystem, etc. To address these limitations, here, we have attempted fabrication of mussel mimetic biopolymer (PDA) and its aminoglycoside‐nanoconjugate‐coated face masks. Formation of a uniform layer on the surface not only acted as a potential barrier for infectious pathogens but also inhibited their entry, deactivated the adhered bacteria, imparted non‐immunogenic response with no harmful effects on the wearer's skin owing to the biocompatible nature and pH compatibility of PDA and their conjugates. Amongst all, PDA‐kanamycin (PDA−K)‐coated masks exhibited excellent microbicidal activity with the least bacterial infiltration efficiency.
Preparation and Ammonia Sensing of Copper Iodide Nanomaterials Combined with Copper Iodide‐Isopropanolamine Complexes
Authors: Yang Xia , Ling Qilong , Lin Yujia , Lv Yanfei , Xi Junhua , Fu Li , Chen Fei , Zhang Rui , Zhao Shichao
Published: October 2024

With the increasing awareness of the hazards associated with ammonia (NH3) contamination and the potential application of NH3 detection in physical health monitoring, the exploration of high‐performance NH3 sensors has attracted significant attention in recent years. In this paper, we prepared copper iodide (CuI) nanomaterials combined with CuI‐isopropanolamine (C3H9NO) complexes by dissolving CuI in C3H9NO and subsequent annealing. The resulting product demonstrated exceptional sensing performance to 0.15 (mole fraction) NH3, exhibiting a maximum response of 7.5×105 with a response time of 5 s. The achieved detection limit was 10 ppm. Our findings provide a valuable reference for further research on NH3 sensors utilizing complexes formed by copper compounds and organic amines.
Green Voltammetric Detection of Ophthalmic Drug Nepafenac Using Pencil Graphite Electrode as a Responsive Disposable Electrochemical Sensor
Authors: Ersali Hüseyin , Levent Abdulkadir
Published: October 2024

In this study, the electrochemical properties of nepafenac, used after eye surgery operations, were investigated on a disposable pencil graphite electrode. Cyclic and square wave voltammetry techniques were used to investigate the electrochemical properties of nepafenac. Two peaks at potentials of approximately +0.33 V and +1.03 V in the anodic direction and two peaks at potentials of approximately +0.29 V and +0.08 V in the cathodic direction were observed on the surface of the disposable pencil electrode in acetate (pH 4.8) medium with the cyclic voltammetry technique. The analytical performance of the developed voltammetric technique had good linearity in the concentration range of 0.30 µM to 3.5 µM at pH 4.8. The LOD value of this voltammetric method in acetate (pH 4.8) medium was calculated as 0.035 µM (8.90 ng mL−1). For reproducibility, the relative standard deviation (RSD) values for Ia and IIa anodic peak current/potential were found to be 1.45%/0.43% and 1.28%/0.25%, respectively. The voltammetric method was successfully applied to urine and pharmaceutical preparations and the results were compared with the spectrophotometric method.
Exploring Polymorphism in Quinoline‐4‐Carbaldoxime: Experimental Validation and Computational Insights into Hydrogen Bonding and Structural Variations
Authors: Tarai Arup , Tarai Swarup Kumar , Sutradhar Dipankar , Bhowmick Somnath , Moi Sankar Ch. , Nath Bhaskar
Published: October 2024

This study identifies and characterizes a second polymorph (Poly‐II) of quinoline‐4‐carbaldoxime (HQ), isolated from an acetone‐acetonitrile mixture. Poly‐II was compared to the previously known Poly‐I using PXRD, DSC, IR, and Raman spectroscopy. Poly‐I forms a 1D supramolecular assembly, whereas Poly‐II exhibits a 2D assembly with additional hydrogen bonds. Hirshfeld surface analysis reveals the presence of different non‐covalent interactions in Poly‐I and Poly‐II, and atom‐in‐molecule (AIM) analysis identifies their strength. AIM analysis, along with Espinosa's relation, was used to calculate the strength of O─H···N and C─H···N interactions in Poly‐I and Poly‐II. The values are −30.0 and −6.17 kJ/mol for Poly‐I, whereas the values for Poly‐II are −36.18 and −3.66 kJ/mol. The plane wave periodic DFT calculations determined the lattice energies of Poly‐I and Poly‐II to be −1.52 and −1.53 eV, respectively, indicating that both polymorphs have comparable stability. The crystal parameters of Poly‐I and Poly‐II obtained from theoretical simulations and the experiment are comparable, indicating the similar stability of Poly‐I and Poly‐II. Computational simulations confirmed experimental data, showing both polymorphs have similar stability and melting points despite different unit cell volumes.
Single Atom Catalyst for Nitrate‐to‐Ammonia Electrochemistry
Authors: Subhadarshini Suvani , Pumera Martin
Published: October 2024

Various life forms suffer from the negative effects of nitrate when it accumulates in water bodies, which is a major concern in the present day. The removal of nitrate from water bodies is a critical challenge, and the most effective method to achieve that is to change it into ammonia. Ammonia is a clean energy source and a vital input for the fertilizer industry. The Haber–Bosch process, which dominates the industrial production of ammonia, requires a lot of energy. A more sustainable way to produce ammonia is to use nitrate‐contaminated water and reduce it to ammonia through electrocatalysis. This review is constituted of amalgamated articles featuring unique conditions that affect the productivity and activity of the transition metal single atom catalyst (TNMSAC) for the electrocatalytic nitrate reduction to ammonia (NRA) reaction. It explores factors such as nitrate ion adsorption, the characteristics of the central electroactive transition metal, the type of coordinating atoms, the impact of potential on stability, and the interplay among single atoms on the selectivity and yield of ammonia gas. In addition, this review also covers advanced concepts such as dual‐atom catalysts, dual single atom catalysts, and single atom alloys. The review will provide valuable guidance for enhanced comprehension and strategic designing of TNMSAC for the electrocatalytic conversion of NRA, which will contribute to achieving a green ammonia economy.
Dual‐Responsive MnO2‐Loaded Carbonaceous Nanobottle Motors Fabricated by Interfacial Superassembly for On‐The‐Fly MicroRNA Sensing
Authors: Ma Enhui , Wang Ke , Gou Yineng , Luo Wenqing , Wang Hong
Published: October 2024

Diverse nanomotors with advanced motion manipulation have been proposed to revolutionize the way problems in many fields are solved. However, rational and controllable synthetic methods of multifunctional nanomotor are still limited. Herein, dual‐responsive MnO2‐loaded carbonaceous nanobottle motors (MnO2 NBMs) are developed through an interfacial superassembly strategy. Asymmetric carbonaceous nanobottles are first synthesized, and the reductive carbonaceous shell induces an oxidation‐reduction reaction with KMnO4 for in‐situ growth of MnO2 nanosheets, which enables the nanomotor to perform either self‐diffusiophoretic or self‐thermophoretic motion in response to H2O2 and near‐infrared light, respectively. Inspired by bioaffinity sensing, the nanomotors are sequentially assembled with functional nanoparticles and hairpin DNA to construct swimming functional MnO2 NBMs (MnO2 FNBMs) probes. The probes can move around complex samples to improve target miRNA transport and accelerate receptor‐target interaction. Coupling with the photocurrent‐signal amplification, the self‐assembly of photoelectrochemical (PEC) biosensors has been achieved for sensitive microRNA detection. Trace amounts of miRNA‐155 can be quickly detected with a wide detection range (100 fM to 100 nM). Moreover, the direct detection of microRNA in tumor cell lysates by the biosensor is demonstrated. Given the merits of automation and miniaturization, the proposed strategy provides a promising method for fast and effective self‐assembly of biosensors.
The Synthesis of Needle‐Like Monocrystalline Diamonds with a High Aspect Ratio up to 14
Authors: Hou Shuai , Hao Jinglin , Deng Lifen , Cui Xiwei , Mao Rongqi , Jiang Nan
Published: October 2024

Diamond exhibits nontrivial hardness and abrasion, ultra‐high thermal conductivity, and light transmission over a wide wavelength range. All these properties are anisotropic. There is considerable literature on the synthesis of large‐sized monocrystalline diamonds but the synthesis of highly oriented monocrystalline diamonds is limited. Here, [100] oriented monocrystalline needle‐like diamonds are successfully synthesized with an aspect ratio of up to 14 by controlling the temperature gradient and carbon concentration gradient using FeCo alloy as the catalyst at ≈5.8 GPa and 1473 K. The distinctive morphology and microstructure of needle‐like diamonds are characterized using Scanning Electron Microscopy, X‐ray diffraction, and Focused Ion Beam‐Transmission Electron Microscopy. A four‐stage growth model is established to elucidate the growth mechanism along the [100], which sheds light on the synthesis of diamonds with predetermines crystal orientations. Increasing the aspect ratio of needle‐like diamonds further may enable the development of diamond fibers and assist in the fabrication of laser diamonds with specific orientation requirements.
Multi‐Phase Rotating Disk Triboelectric Nanogenerator with DC Output for Speed Monitoring
Authors: Luo Hongchun , Ni Xingyi , Zhang Chun , Cui Yingxuan , Yang Tao , Shao Juxiang , Jing Xingjian
Published: October 2024

Triboelectric nanogenerators (TENGs) are highly efficient devices for harvesting mechanical energy. Nevertheless, conventional TENGs often produce AC output, which, coupled with their high crest factor and pulsed output characteristics, poses limitations on their widespread adoption in real scenarios. In this paper, a multi‐phase rotating disk triboelectric nanogenerator (MPRD‐TENG) characterized by a low crest factor and DC output is prepared through the method of phase superposition. The findings reveal that by enhancing these parameters, namely, increasing the number of rotating disk TENGs, augmenting the number of grids, and elevating the rotational speed, the crest factor of the MPRD‐TENG can be effectively reduced. Furthermore, this innovative MPRD‐TENG demonstrates its versatility by successfully powering a fire alarm system, thereby offering a promising solution for early warning and monitoring of offshore oil exploration fires. Ultimately, the implementation of machine learning algorithms to train the DC output data collected by the MPRD‐TENG significantly enhances the capability to predict and classify signals corresponding to varying speeds with greater precision. Consequently, the integration of machine learning methods not only facilitates a more effective warning system but also bolsters monitoring capabilities for unforeseen situations encountered in real‐world engineering projects.
Tailoring Ni‐Fe‐B Electronic Effects in Layered Double Hydroxides for Enhanced Oxygen Evolution Activity
Authors: Bai Yuke , Liu Zhaojun , Wang Xiaoxiao , Zhang Zhixue , Liu Kai , Gao Chuanbo
Published: October 2024

NiFe layered double hydroxides (LDHs) are state‐of‐the‐art catalysts for the oxygen evolution reaction (OER) in alkaline media, yet they still face significant overpotentials. Here, quantitative boron (B) doping is introduced in NiFe LDHs (ranging from 0% to 20.3%) to effectively tailor the Ni‐Fe‐B electronic interactions for enhanced OER performance. The co‐hydrolysis synthesis approach synchronizes the hydrolysis rates of Ni and Fe precursors with the formation rate of B─O─M (M: Ni, Fe) bonds, ensuring precise B doping into the NiFe LDHs. It is demonstrated that B, as an electron‐deficient element, acts as an “electron sink” at doping levels from 0% to 13.5%, facilitating the transition of Ni2+ to the active Ni3+δ, thereby accelerating OER kinetics. However, excessive B doping (13.5–20.3%) effectively generates oxygen vacancies in the LDHs, which increases electron density at Ni2+ sites and hinders their transition to Ni3+δ, thereby reducing OER activity. Optimal OER performance is achieved at a B doping level of 13.5%, with an overpotential of only 208 mV to reach a current density of 500 mA cm−2, placing it among the most effective OER catalysts to date. This Ni‐Fe‐B electronic engineering opens new avenues for developing highly efficient anode catalysts for water‐splitting hydrogen production.
Rigidity‐Driven Structural Isomers in the NaCl–Ga2S3 System: Implications for Energy Storage
Authors: Bokova Maria , Kassem Mohammad , Usuki Takeshi , Tverjanovich Andrey , Sokolov Anton , Fontanari Daniele , Hannon Alex C. , Benmore Chris J. , Alekseev Igor , Kohara Shinji , Roussel Pascal , Khomenko Maxim , Ohara Koji , Onodera Yohei , Cuisset Arnaud , Bychkov Eugene
Published: October 2024

Alternative energy sources require the search for innovative materials with promising functionalities. Systems with unusual chemical properties represent an insufficiently explored domain, concealing unexpected features. Using diffraction and Raman spectroscopy over a wide temperature range, supported by first‐principles simulations, a rare phenomenon is unveiled: phase‐dependent chemical interactions between binary components in the NaCl–Ga2S3 system. In this unique occurrence, previously intact binary crystalline species transform upon melting into mixed liquid structural isomers, forming bonds with new partners. The chemical combinatorics appears to be fully reversible for stable crystals and liquids. Despite this, rapidly frozen glasses out of thermodynamic equilibrium remain in a metastable isomeric state, offering remarkable properties, particularly a high room‐temperature Na+ conductivity, comparable to the best sodium halide superionic conductors and therefore encouraging for sodium solid‐state batteries and energy applications. A rigidity paradigm is responsible for the observed phenomenon, as the extremely constrained Ga2S3 crystal lattice does not survive viscous flow, breaking up at a short‐range level. The removal of rigidity constraints and dense packing leads to a significant increase in empty space, which is the origin of high sodium diffusivity. Broadly, the rigidity‐driven structural isomerism opens up an inspiring path to the discovery of atypical materials.
Biomimetic Channels Design in Metal‐Organic Framework Enabling Highly Lithium‐Ion Conduction for Lithium‐Metal Batteries
Authors: Wang Xin , Jin Sheng , Shi Lu , Zhang Nan , Guo Jia , Zhang Dianqu , Liu Zhiliang
Published: October 2024

Solid‐state electrolytes (SSEs) based on metal‐organic frameworks (MOFs) are an ideal material for constructing high‐performance lithium metal batteries (LMBs). However, the low ion conductivity and poor interface contact (especially at low temperatures) still seriously hinder its further application. Herein, inspired by the Na+/K+ conduction in biology systems, a series (NH2, OH, NH‐(CH2)3‐SO3H)‐modified MIL‐53‐X as SSEs is reported. These functional groups are similar to anions suspended in biological ion channels, partially repelling anions while allowing cations to be effectively transported through pore channels. Subsequently, MIL‐53‐X with hierarchical pore structure (H‐MIL‐53‐X) is obtained by introducing lauric acid as a regulator, and then the effects of structural design and morphology control on its performance are explored. The conductivity of H‐MIL‐53‐NH‐SO3Li with multi‐level pore structure and modified by sulfonic acid groups reached 2.2 × 10−3 S cm−1 at 25 °C, lithium‐ion transference number of 0.78. Besides, the H‐MIL‐53‐NH‐SO3Li still has an excellent conductivity of 10−4 S cm−1 at −40 °C. Additionally, LiFePO4/Li batteries equipped with H‐MIL‐53‐NH‐SO3Li SSEs could operate stably for over 200 cycles at 0.1 C. The strategy of combining structural and morphological design of MOFs with biomimetic ion channels opens new avenues for the design of high‐performance SSEs.
Computational design of energy‐related materials: From first‐principles calculations to machine learning
Authors: Xue Haibo , Cheng Guanjian , Yin Wan‐Jian
Published: October 2024

Energy‐related materials are crucial for advancing energy technologies, improving efficiency, reducing environmental impacts, and supporting sustainable development. Designing and discovering these materials through computational techniques necessitates a comprehensive understanding of the material space, which is defined by the constituent atoms, composition, and structure. Depending on the search space involved in the investigation, the computational materials design can be categorized into four primary approaches: atomic substitution in fixed prototype structures, crystal structure prediction (CSP), variable‐composition CSP, and inverse design across the entire materials space. This review provides an overview of these paradigms, detailing the concepts, strategies, and applications pertinent to energy‐related materials. The progression from first‐principles calculations to machine learning techniques is emphasized, with the aim of enhancing understanding and elucidating new advancements in computationally design of energy‐related materials.

This article is categorized under:

Structure and Mechanism > Computational Materials Science

Data Science > Artificial Intelligence/Machine Learning

Electronic Structure Theory > Density Functional Theory
Single‐stapled colorectal anastomotic techniques: Do not cross the line
Authors: Cavallaro Paul , Holubar Stefan D.
Published: October 2024

The double‐stapled technique is the most common method of colorectal anastomosis. Despite its widespread use, emerging data suggests that this technique may be a risk factor for anastomotic complications, as it is believed that crossing staple lines and resultant dog‐ears are potentially weak points that are prone to ischemia and anastomotic leak. Herein, we describe technical variations of single‐stapled colorectal anastomoses which surgeons can readily adopt and integrate into their armamentarium of anastomotic techniques.
Clinical significance of the CALLY index in patients with gastric cancer undergoing gastrectomy
Authors: Sakurai Katsunobu , Kubo Naoshi , Hasegawa Tsuyoshi , Nishimura Junya , Iseki Yasuhito , Nishii Takafumi , Inoue Toru , Yashiro Masakazu , Nishiguchi Yukio , Maeda Kiyoshi
Published: October 2024

Background

The aim of this study was to elucidate the clinical impact of the CALLY index in patients with gastric cancer (GC) undergoing gastrectomy.

Methods

Between January 2014 and December 2020, 617 patients who underwent gastrectomy for GC at the Osaka City General Hospital were enrolled in this study. The CALLY index was calculated using the following formula: [albumin (g/dL) × lymphocytes (/μl)]/[CRP (mg/dL) × 104]. We compared the predictive value of four biomarkers [CALLY index, modified Glasgow prognostic score (mGPS), neutrophil‐lymphocyte ratio (NLR), and platelet‐lymphocyte ratio (PLR)] for short‐ and long‐term outcomes and focused on the CALLY index to elucidate its clinical value.

Results

Receiver operating characteristic analysis showed that the area under the curve for the CALLY index was the highest among the four biomarkers. The 5‐year overall survival (OS) and cancer‐specific survival (CSS) rates in the low and the high CALLY groups were statistically significant. Multivariate analysis identified the CALLY index as an independent factor for OS and CSS but not NLR or PLR. The mGPS was an independent factor for OS but not for CSS in multivariate analysis. Regarding complications, only the CALLY index was an independent predictor of major complications (≧ Clavien–Dindo grade 3) in multivariate analysis but not others.

Conclusions

The CALLY index may have a clinical value in predicting OS, CSS, and major complications in GC patients undergoing gastrectomy.
Numerical Simulations
Authors: Méot François
Published: October 2024

Several of the numerical simulation exercises proposed in the following chapters require step-by-step raytracing through the optical elements concerned, for diverse reasons, depending on the problem. The raytracing code Zgoubi is used and provides the necessary tooling for this numerical solution of particle and spin motion in electric and/or magnetic fields, and to account for random events such as in-flight decay or photon emission. Generalities regarding the interest of the stepwise integration method, as well as the code and its input and output data files, are introduced here.
Beam Lines
Authors: Méot François
Published: October 2024

This chapter introduces beam transport and manipulations in beam lines. It provides the theoretical material resorted to in the simulation exercises, leaning on charged particle optics and beam manipulation concepts introduced in earlier Chapters. The simulation of beam lines and specific functionalities they ensure require new optical elements, such as WIENFILTER, EBMULT, high order multipoles, etc. Particle monitoring resorts to keywords introduced in the previous Chapters, including FAISCEAU, FAISTORE, possibly PICKUPS, and some others. Spin motion computation and monitoring resort to SPNTRK, SPNPRT, FAISTORE. Optics matching and optimization use FIT[2]. INCLUDE is sometimes resorted to, mostly in order to modularize and/or simplify the input data files. SYSTEM is used to, mostly, call gnuplot scripts so as to end simulations with some specific graphs, or animations. These scripts read their data from output files filled up during the execution of the code, such as zgoubi.fai (resulting from the use of FAISTORE), zgoubi.plt (resulting from IL $$=$$
=
2 flag), or other zgoubi.*.out files resulting from a PRINT command.
The Local Picard Group of a Ring Extension
Authors: Spirito Dario
Published: October 2024

Given an integral domain D and a D-algebra R, we introduce the local Picard group $$\textrm{LPic}(R,D)$$

LPic
(
R
,
D
)

as the quotient between the Picard group $$\textrm{Pic}(R)$$

Pic
(
R
)

and the canonical image of $$\textrm{Pic}(D)$$

Pic
(
D
)

in $$\textrm{Pic}(R)$$

Pic
(
R
)

, and its subgroup $$\textrm{LPic}_u(R,D)$$

LPic
u

(
R
,
D
)

generated by the the integral ideals of R that are unitary with respect to D. We show that, when $$D\subseteq R$$

D
⊆
R

is a ring extension that satisfies certain properties (for example, when R is the ring of polynomial D[X] or the ring of integer-valued polynomials $$\textrm{Int}(D)$$

Int
(
D
)

), it is possible to decompose $$\textrm{LPic}(R,D)$$

LPic
(
R
,
D
)

as the direct sum $$\bigoplus \textrm{LPic}(RT,T)$$

⨁
LPic
(
R
T
,
T
)

, where T ranges in a Jaffard family of D. We also study under what hypothesis this isomorphism holds for pre-Jaffard families of D.
A classification of generalized root systems
Authors: Cuntz Michael , Mühlherr Bernhard
Published: October 2024

Dimitrov and Fioresi introduced an object that they call a generalized root system. This is a finite set of vectors in a Euclidean space satisfying certain compatibilities between angles and sums and differences of elements. They conjecture that every generalized root system is equivalent to one associated to a restriction of a Weyl arrangement. In this note, we prove the conjecture and provide a complete classification of generalized root systems up to equivalence.
Reduced-dimensional modelling for nonlinear convection-dominated flow in cylindric domains
Authors: Mel’nyk Taras , Rohde Christian
Published: October 2024

The aim of the paper is to construct and justify asymptotic approximations for solutions to quasilinear convection–diffusion problems with a predominance of nonlinear convective flow in a thin cylinder, where an inhomogeneous nonlinear Robin-type boundary condition involving convective and diffusive fluxes is imposed on the lateral surface. The limit problem for vanishing diffusion and the cylinder shrinking to an interval is a nonlinear first-order conservation law. For a time span that allows for a classical solution of this limit problem corresponding uniform pointwise and energy estimates are proven. They provide precise model error estimates with respect to the small parameter that controls the double viscosity-geometric limit. In addition, other problems with more higher Péclet numbers are also considered.
Passive dispersal potential of medaka eggs by attaching to waterbirds
Authors: Yao Akifumi , Mashiko Miyuki , Toquenaga Yukihiko
Published: October 2024

Colonization of new habitats is a key event in forming current distributions in organisms. It has been speculated that freshwater fish eggs can be dispersed passively by attaching to or egestion from waterbirds that arrive in wetland habitats. Recent research showed that some freshwater fish eggs could be excreted alive from birds and then successfully hatch, but scientific evidence of bird-mediated fish dispersal is still limited to endozoochory (internal transport through a bird’s digestive tract). Here, we experimentally suggest the dispersal potential in another way or epizoochory (external dispersal by attaching to waterbirds), using medaka Oryzias latipes, which spawns on aquatic plants. Our field experiment showed that waterbirds could carry artificial aquatic plants among waterbodies. Medaka eggs attached to aquatic plants could survive in the air for up to 18 h with a median lethal period of 16.3 h. Those two findings raise the possibility of the epizoochory of medaka in nature.
Galactica’s dis-assemblage: Meta’s beta and the omega of post-human science
Authors: Chartier-Edwards Nicolas , Grenier Etienne , Goujon Valentin
Published: October 2024

Released mid-November 2022, Galactica is a set of six large language models (LLMs) of different sizes (from 125 M to 120B parameters) designed by Meta AI to achieve the ultimate ambition of “a single neural network for powering scientific tasks”, according to its accompanying whitepaper. It aims to carry out knowledge-intensive tasks, such as publication summarization, information ordering and protein annotation. However, just a few days after the release, Meta had to pull back the demo due to the strong hallucinatory tendencies or underwhelming performances of the model. This article aims to study, through a critical threefold argument, the potential impacts of LLMs once deployed in the scientific value chain. Our first argument is a technical one. By examining the technicity of Galactica, it is possible to explain the descripancies between its promotional corporate discourse and abysmal outputs. Second, by going back to debates in both computer science and computational philosophy on the automation of abduction, we argue from the epistemological front that LLMs indeed cannot produce strong abductions and, therefore, claims about the automation of hypothesis generation remains chambering. Finally, our third argument is a sociological one. By conceptualizing the scientific field through Nancy Katherine Hayles’ cognitive assemblage theory, we aim to outline the potential steering of science by LLMs, mainly through information ordering. The core of our argument rests on the assertion that excessive control on information risks contravening a certain serendipitous aspect inherent to scientific discoveries.