bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design of High‐Performance Infrared Nonlinear Optical PAs3S3 with Perfectly Aligned Polar Molecular Cage via a Bipolar‐Axis‐Symmetry Coupling Strategy
Authors: Wang Chao , Lin Chensheng , Zhao Xin , Yang Shunda , Yan Tao , Fang Shenghao , Wu Lingli , Ye Ning , Luo Min 
Published: December 2024

AbstractStrong polar molecular cages have recently emerged as novel functional building units for high‐performance infrared nonlinear optical (IR NLO) crystals. However, these highly polar molecular cages often arrange themselves in a way that cancels out their polarity, leading to a more energetically stable state. As a result, most cage crystal formations tend to crystallize in centrosymmetric space groups, which conflicts with the primary requirement for NLO crystals. Herein, we address the challenge of polar molecular cage arrangement through bipolar‐axis‐symmetry coupling strategy, utilizing classical NLO parent compounds. By substituting the C3v symmetric [B3O6] groups with polar C3v symmetric [PAs3S3] cages within the β‐BBO polar aixs lattice, we successfully synthesized a new compound, PAs3S3 (PAS), which exhibits a consistent arrangement of polar molecular cages — crucial for maximizing NLO performance. Additionally, due to the non‐covalent interactions among [PAs3S3] polar molecular cages, PAS demonstrates an unexpectedly strong second harmonic generation (SHG) about 8 times that of AgGaS2, along with a significant band gap of 2.75 eV. Furthermore, PAS exhibits remarkable stability against air and moisture. These findings validate our design strategy and position PAS as a promising candidate for applications in IR NLO crystals.
High‐Temperature‐Mediated Assembly of Polyoxometalate‐Induced Ordered Carbonaceous Superstructures
Authors: Zhang Xie , Lv Xucheng , Du Xiangbowen , Qi Menghui , Mao Shanjun , Wang Yong 
Published: December 2024

AbstractConstructing hierarchical superstructures through one‐step bottom‐up synthesis poses significant challenges due to strong interactions between additives and micelles, which hinders the formation of heterogeneous configurations. Here, we propose a high‐temperature‐mediated method to weaken these interactions and manipulate the thermal instability of micellar templates. This approach successfully synthesizes hierarchical superstructures that combine a carbonaceous nanosheet substrate with polyoxometalate (POM)‐induced, highly ordered discontinuous nanodots in a single preparation step. The surface nanodots have a diameter of approximately 19 nm and are spaced about 32 nm apart. Besides, the nanodots with various arrangements can be generated by simply adjusting the amount of POM. Importantly, the superstructure features more exposed POM catalytic sites than conventional carbonaceous hybrids lacking surface architectures, resulting in excellent electrochemical performance in lithium‐sulfur (Li−S) batteries. This high‐temperature‐mediated approach offers new insights for designing hierarchical superstructures and functional materials with enhanced activities.
Sulfobetaine/Alginate/Chitosan Supported Hybrid N‐Isopropylacrylamide Hydrogels: Composition‐Dependent Diffusion/Compression Properties and Theophylline/Diclofenac Sodium/Ciprofloxacin Release Kinetics
Authors: Şahin Fatıma Cemre , Şimşek Ceyda , Erbil Candan 
Published: December 2024

ABSTRACTPoly(N‐isopropylacrylamide) (N), poly([3‐(methacryloylamino)propyl] dimethyl(3‐sulfopropyl) ammonium hydroxide) (SB) and SB/N hydrogels were prepared using N,N′‐methylenebisacrylamide as crosslinker, while their hybrid semi‐/full‐IPNs N1A, N1C, N1CA, SB/N1A, SB/N1C, and SB/N1CA were synthesized in the presence of Alginate (A)/Chitosan (C). All the hydrogels were evaluated by taking into account their appearances, compression strengths and swelling behaviors in the ranges of pH 1.2–9.0 and temperature 4°C–40°C. The compressive moduli of N and SB/N hydrogels increased from ~10 to 80 kPa by changing composition (from N, SB/N to N1CA, SB/N1CA), swelling solution (from DDW to PBS) and temperature (from 25° to 37°C). The release profiles of diclofenac sodium (DFNa), theophylline (Thp), and ciprofloxacin (CIP) from N, SB/N, and their semi‐/full‐IPNs were investigated at pH 1.2 and pH 7.4, mimicking gastric and intestinal fluids. Higuchi, Peppas, and Weibull models were used, to describe the mechanisms of DFNa, Thp, and CIP releases from the hybrid IPNs of N and SB/N. The values of n (> 0.45) and β (> 0.75) at 37°C for Peppas and Weibull equations showed that DFNa and CIP releases from SB/N hybrids, which are more hydrophilic than IPNs of N, are mainly controlled by swelling/relaxation process.
Dynamic algorithmic awareness based on FAT evaluation: Heuristic intervention and multidimensional prediction
Authors: Liu Jing , Wu Dan , Sun Guoye , Deng Yuyang 
Published: December 2024

AbstractAs the widespread use of algorithms and artificial intelligence (AI) technologies, understanding the interaction process of human–algorithm interaction becomes increasingly crucial. From the human perspective, algorithmic awareness is recognized as a significant factor influencing how users evaluate algorithms and engage with them. In this study, a formative study identified four dimensions of algorithmic awareness: conceptions awareness (AC), data awareness (AD), functions awareness (AF), and risks awareness (AR). Subsequently, we implemented a heuristic intervention and collected data on users' algorithmic awareness and FAT (fairness, accountability, and transparency) evaluation in both pre‐test and post‐test stages (N = 622). We verified the dynamics of algorithmic awareness and FAT evaluation through fuzzy clustering and identified three patterns of FAT evaluation changes: “Stable high rating pattern,” “Variable medium rating pattern,” and “Unstable low rating pattern.” Using the clustering results and FAT evaluation scores, we trained classification models to predict different dimensions of algorithmic awareness by applying different machine learning techniques, namely Logistic Regression (LR), Random Forest (RF), Support Vector Machine (SVM), Linear Discriminant Analysis (LDA), and XGBoost (XGB). Comparatively, experimental results show that the SVM algorithm accomplishes the task of predicting the four dimensions of algorithmic awareness with better results and interpretability. Its F1 scores are 0.6377, 0.6780, 0.6747, and 0.75. These findings hold great potential for informing human‐centered algorithmic practices and HCI design.
Has the Last Super Cycle in Crude Oil Price Ended? a Maximum Drawdown Approach Using Fractional Brownian Motion
Authors: Salcı‐Bilici M. , Erdem F. Pınar , Ünalmış İbrahim , Vardar‐Acar C. 
Published: December 2024

ABSTRACTIdentifying the start and end dates of past oil price super cycles attracts significant attention in the literature. However, there are limited attempts to construct a formal methodology for determining the duration and maximum drawdown of a typical oil price super cycle. This paper aims to fill this gap by identifying the pricing and duration properties of a super cycle using a fractional Brownian motion model (fBm). We calibrate the fBm and conduct simulations using data from January 1996 to September 2020. The simulation results indicate that the maximum drawdown is expected to last 124 months. This result implies that the last oil price super‐cycle ended in September 2018. In other words, our findings imply that oil prices are currently in a bull market. The findings carry significant policy implications for policymakers in both oil‐exporting and ‐importing countries, as well as financial market players.
Towards the integrated supply chain practices through industry 4.0: A bibliometric and systematic review
Authors: Mahajan Pramod Sanjay , Raut Rakesh D. , Kumar Prasanth R. , Ghoshal Sudishna 
Published: December 2024

AbstractModern agri‐food supply chains are gradually becoming complex due to perishability, seasonality, frequent disruption, fluctuating consumer requirements and environmental concerns. Implementing multiple practices may help to address this complexity and develop a robust agri‐food supply chain that enables a competitive edge for the organisation. This paper discusses the possibility of integrating various supply chain practices through Industry 4.0 in the agri‐food supply chain. In addition, getting insights from bibliometric and systematic reviews. The study tried to search for various possible keywords to import the data on multiple research platforms such as Web of Science, Science Direct and Scopus. All the collected data were merged into a single file, removing duplicates and verifying the papers based on the abstract and title for relevancy. Finally, the study concluded the systematic review of 97 research articles. By analyzing the content of all the articles and reviewing articles through a bibliometric package of ‘R’. The paper's finding suggests that integrating all these practices mentioned in the article gives a collaborative output of a sustainable, efficient, flexible and resilient supply chain that leverages Industry 4.0 technology to market dynamics while maximizing sustainable impact. The researcher and practitioner advised a wise implementation of all the supply chain practices mentioned in this article and suggested understanding their benefit to the organisation. This study also presented a future research direction focusing on the practical application of Industry 4.0 and collaborative supply chain practices.
Design and Synthesis of Propargyloxy Functionalized Pyrazole‐Based Aurones: Exploring Their Potent Anticancer Properties Against AGS and MCF‐7 Cell Lines
Authors: Lathwal Ekta , Kumar Suresh , Sharma Vikas , Sharma Arpana , Choudhury Trisha , Mistry Tanuma , Nasare Vilas D. 
Published: December 2024

ABSTRACTFDA‐approved numerous commercial and natural drugs used in cancer treatment feature either pyrazole or alkyne moieties. On the basis of this, we designed and synthesized 20 novel propargyloxy‐substituted pyrazole‐based aurones (10a–j and 11a–j) and evaluated for their anticancer potential against cancerous MCF‐7 and human gastric adenocarcinoma (AGS) cell lines, as well as normal cell line human embryonic kidney 293 (HEK‐293), through MTT assay. Among these tested compounds, five (10d–f, 11e, and 11f) displayed potent cytotoxic properties for AGS cancer cell line with IC50 values ranging from 19.7 to 28.5 µM, better than the reference drugs leucovorin (IC50 = 30.8 µM) and oxaliplatin (IC50 = 29.8 µM). Furthermore, compounds 10b, 10c, 11a, 11c, and 11d demonstrated a significant cytotoxic potential against the MCF‐7 cancer cell line with a single‐digit micromolar IC50 potency (4.8–8.5 µM) compared to the standard drug paclitaxel (IC50 = 19.7 µM). The cytotoxic studies of above selected potent active hybrid compounds, against HEK‐293, normal cell line, further highlight the potential use of 10c molecule (IC50 = 4.8 µM against MCF‐7 cells) as an anticancer agent for breast cancer with a selectivity index of 2.597. The cytotoxic results were further supported by the molecular docking studies.
Strongyloides Hyperinfection Syndrome Following Immunosuppressant Therapy for COVID‐19: A Case Report With Literature Review
Authors: Sharma Robin , Islam Muna , Alam Md. Kamrul , Das Sudipta , Islam Rabiul , Ghose Aniruddha 
Published: December 2024

ABSTRACTStrongyloides hyperinfection and disseminated infections are usually associated with immunosuppression; these severe manifestations occur in a minority of cases. The use of immunosuppressants such as corticosteroids and Baricitinib for treating COVID‐19 pneumonia can be responsible for patients' immunosuppression and cause Strongyloides hyperinfection syndrome. The chance increases when the patient belongs to countries or regions where chronic infection with Strongyloides is more prevalent. This case report describes the clinical scenario of a 78‐year‐old man from southeastern Bangladesh who was initially diagnosed with COVID‐19 pneumonia. His condition improved after receiving corticosteroid therapy for approximately 1 month at various doses and Baricitinib therapy for more than a week due to moderate‐to‐severe COVID‐19 pneumonia. Approximately 2 months later, he presented with low‐grade fever, diarrhea, and itching throughout the body. Blood analysis revealed eosinophilia; stool examination revealed Rhabditiform larvae of Strongyloides stercoralis. The patient was diagnosed with Strongyloides hyperinfection syndrome and treated with Albendazole and Ivermectin. His clinical condition gradually improved, and he was discharged from the hospital. The stool sample was sent for a repeat microscopic examination after 14 days, which yielded a negative result. Clinicians should be more vigilant while prescribing corticosteroids and other immunosuppressants for a prolonged period. Proper screening to identify asymptomatic cases of strongyloidiasis, followed by empirical treatment of screening‐positive cases, prompt detection, and management of severe manifestations, is crucial to reduce further morbidity and mortality related to Strongyloides stercoralis.
Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity
Authors: Schneide Paul‐Albert , Armstrong Michael Sorochan , Gallagher Neal , Bro Rasmus 
Published: December 2024

ABSTRACTThis paper introduces a novel deconvolution algorithm, shift‐invariant multi‐linearity (SIML), which significantly enhances the analysis of data from two‐dimensional gas chromatography instruments coupled to a time‐of‐flight mass spectrometer (GC × GC‐TOFMS). Designed to address the challenges posed by retention time shifts and high noise levels, SIML incorporates wavelet‐based smoothing and Fourier‐transform based shift‐correction within the multivariate curve resolution‐alternating least squares (MCR‐ALS) framework. We benchmarked the SIML algorithm against non‐negativity constrained MCR‐ALS and parallel factor analysis 2 with flexible coupling (PARAFAC2 × N) using both simulated and real GC × GC‐TOFMS datasets. Our results demonstrate that SIML provides unique solutions with significantly improved robustness, particularly in low signal‐to‐noise ratio scenarios, where it maintains high accuracy in estimating mass spectra and concentrations. The enhanced reliability of quantitative analyses afforded by SIML underscores its potential for broad application in complex matrix analyses across environmental science, food science, and biological research.
A novel approach of using SiC for the reductive decomposition of industrial by‐product gypsum
Authors: Miao Xiangzhou , Yan Baijun 
Published: December 2024

AbstractIn this study, thermodynamic calculations indicate that using silicon carbide (SiC) as an additive for the reductive decomposition of industrial by‐product (IBP) gypsum is a feasible method to lower decomposition temperature and avoid the generation of liquid phase. Experimental results show that the decomposition rate of IBP gypsum exceeded 90% at 950°C for 2 h, while avoiding the generation of liquid phase. In addition, it was found that an intermediate product, 2Ca2SiO4·CaSO4, was generated during the decomposition process. Through the reaction mechanism and kinetics analysis of IBP gypsum and SiC, the decomposition process can be divided into two steps. The first step was the conversion of CaSO4 to 2Ca2SiO4·CaSO4 (decomposition rate <60%), and the chemical reaction was the controlling step. The second stage was the conversion of 2Ca2SiO4·CaSO4 to Ca2SiO4 (decomposition rate >60%), and three‐dimensional diffusion was the controlling step. This novel method not only successfully lowered the decomposition temperature of IBP gypsum, but also avoided liquid phase generation.
In Situ Operando Investigations of the Thermal Instability Mechanisms of a Deformed Ti‐48Al Alloy
Authors: Krishnan P.S Sankara Rama , Vas Joseph V , Mishra Soumya Ranjan , Xu Xuesong , Davidson Karl Peter , Padhy Shakti P. , Duchamp Martial , Ramanujan R. V 
Published: December 2024

AbstractTiAl based alloys are currently deployed in extreme service environments, such as jet engine turbine blades. The microstructure of these alloys is a two‐phase lamellar structure, comprising of the majority γ‐TiAl and the minority α2‐Ti3Al phases. Understanding the microstructural evolution at high stresses and elevated temperatures is a key requirement to develop the next generation of these alloys. In situ hot stage TEM studies are reported of the mechanisms of lamellar instability and changes in phase fraction of both cold worked and undeformed Ti‐48Al alloys. The effect of cold working on the kinetics of this instability has also been determined. Cross‐sectional TEM samples are prepared on custom designed MEMS chips and in situ heating studies carried out. These results show that neck formation, break‐up of lamellae, and spheroidization are the dominant mechanisms of microstructural instability. An increase in γ‐TiAl phase content is also observed. The strain energy present in the α2 and γ lamellae in cold worked samples results in microstructural instabilities occurring at lower temperatures in cold worked samples. These findings can be used to design new alloys with improved high temperature stability.
Design and Characterization of Se/Nb2O5 Interfaces as High Infrared‐ Absorbers and High Frequency Band Filters
Authors: Qasrawi A. F. , Daragme Rana B 
Published: December 2024

AbstractHerein a new class of optoelectronic devices beneficial for infrared light absorption and high‐frequency application in the terahertz frequency domain are designed and fabricated. The devices are formed by coating a highly transparent thin layer of Nb2O5 onto a selenium‐thin film to form Se/Nb2O5 (SNO) optical interfaces. Although coating of Nb2O5 nanosheets decreased the crystallite sizes and increased the strain and defect concentration in the hexagonal structured Se films, they successfully increased the light absorption by ≈148% in the infrared range of light. A blueshift in the energy band gap of Se from 2.02 to 2.30 eV is observed. The coating of the Nb2O5 onto Se suppressed the free carrier absorption in Se and Nb2O5. As dielectric active layers, SNO interfaces showed a major resonance dielectric peak centered at 1.67 eV. The optical conductivity and terahertz cutoff frequency analyses which are handled using the Drude‐Lorentz approach revealed the highest drift mobility and free carrier concentration of 17.17 cm2 Vs−1 and 5.0 cm−3 when an oscillator of energy of 1.75 eV is activated. In addition, the terahertz cutoff frequency spectra which varied in the range of 4.0–131 THz showed the suitability of the SNO devices for terahertz technology and other optoelectronics.
Sustainable governance levers and environmental innovation: Evidence from French SBF 120 companies
Authors: Ait Saadi Fayçal , Larbi Sami Ben , Bon Véronique 
Published: December 2024

AbstractBy developing a theoretical framework combining the shareholder, stakeholder, and cognitive approaches to governance, our article examines the influence of sustainable governance levers on environmental innovation. This study focuses on French companies listed on the SBF 120 index from 2002 to 2021 in an institutional context deemed conducive to corporate social responsibility (CSR), particularly in the environmental field. Thanks to a methodology adapted to the longitudinal nature of the Refinitiv Eikon database, we found that CSR governance mechanisms (i.e. CSR committee and CSR incentive mechanism) foster environmental and sustainable innovation, whereas the shareholder governance mechanism examined (i.e. financial incentive mechanism) has an adverse effect. Our findings will help regulators to encourage and recommend CSR governance systems. They provide results that could guide the setting of corporate governance standards in a context where governance codes are currently integrating responsibility concerns, particularly in France.
Outpatient worsening of heart failure and mortality in transthyretin amyloid cardiomyopathy
Authors: Zeldin Lawrence , Eichler Joanna B.S. , Teruya Sergio L. , Weinsaft Ariel Y. , Mirabal Alfonsina , Cuomo Margaret O. , Mateo Kimberly , Helmke Stephen , Maurer Mathew S. 
Published: December 2024

AimsTransthyretin cardiomyopathy (ATTR‐CM) is characterized by episodes of worsening heart failure (WHF) which can include heart failure (HF) hospitalizations or urgent unplanned visits for administration of intravenous diuretics. WHF characterized by outpatient intensification of oral loop diuretics is common yet its prognostic implications for ATTR‐CM patients relative to other WHF events remains unclear. We assessed how WHF characterized by outpatient diuretic intensification (ODI) relates to mortality in this population.Methods and resultsThis was a retrospective study of ATTR‐CM patients presenting to the Columbia University Irving Medical Center. Oral loop diuretic dose was recorded longitudinally. WHF characterized by ODI was defined as a persistent increase in oral loop diuretic dose lasting >1 month. We analysed the all‐cause mortality rate after either WHF event (hospitalization or ODI) relative to subjects who had no WHF event. Overall, 303 patients highly treated with tafamidis were included: 152 (50.2%) patients had no WHF events, 35 (11.6%) experienced HF hospitalization, and 145 (47.9%) experienced ODI; 29 (9.6%) patients experienced both WHF events. Patients experiencing ODI had higher rates of subsequent mortality (17.7 per 100 person‐years; 95% confidence interval [CI] 13.3–23.7) as did those with a HF hospitalization (29.8 per 100 person‐years; 95% CI 17.7–50.3) than patients without WHF events (5.0 per 100 person‐years; 95% CI 3.0–8.3) on log‐rank test. WHF characterized by ODI was independently associated with mortality in a model adjusting for age, genotype, atrial fibrillation, disease duration, time‐varying tafamidis use and National Amyloid Centre (NAC) or Columbia stages.ConclusionIn contemporary patients with ATTR‐CM treated with tafamidis, WHF requiring ODI is prognostic of subsequent mortality and is a clinical marker of disease progression.
A microcycle of high‐intensity short‐interval sessions induces improvements in indicators of endurance performance compared to regular training
Authors: Solli Guro Strøm , Odden Ingvill , Sælen Vetle , Hansen Joar , Mølmen Knut Sindre , Rønnestad Bent R. 
Published: December 2024

AbstractThe purpose of this study was to evaluate the effects of a microcycle of high‐intensity interval training (HIT) sessions with multiple short work intervals followed by an active recovery period, compared to a similar duration of regular training, on determinants and indicators of endurance performance in well‐trained cyclists. The participants in the BLOCK group performed a 6‐day HIT microcycle including five HIT sessions (5 × 8.75‐min 30/15 s short intervals) followed by a 6‐day active recovery period with reduced training load, while the regular training group (REG) performed 12 days of their regular training, including four HIT sessions. Physiological testing was performed before and after the training periods. From pre‐ to post‐ intervention, BLOCK demonstrated significantly larger improvements than REG in mean power output (PO) during the last min of the maximal oxygen uptake (VO2max) test (POVO2max) (3.7 vs. 0.7%, p = 0.009, and effect size (ES) = 1.00) and mean PO during the 10‐s sprint (2.8 vs. 1.9%, p = 0.028, and ES = 0.63). No significant differences between BLOCK and REG were observed for VO2max, PO at 4 mmol·L−1 [blood lactate] (PO4mmol), 15‐min maximal mean power output (PO15‐min), and gross efficiency (p = 0.156–0.919). However, there was a tendency for larger improvements in the performance index (calculated from the main performance indicators POVO2max, PO4mmol, and PO15‐min) in BLOCK compared to REG (2.9% vs. 1.2%, p = 0.079, and ES = 0.71). A 6‐day high‐intensity short‐interval microcycle followed by a 6‐day active recovery period induces improvements in endurance performance indicators compared to regular training, demonstrating its potential as an efficient strategy for endurance training in well‐trained cyclists.