bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nanobiosensors based on on‐site detection approaches for rapid pesticide sensing in the agricultural arena: A systematic review of the current status and perspectives
Authors: Srinivasan Subramani , Raajasubramanian Devarajan , Ashokkumar Natarajan , Vinothkumar Veerasamy , Paramaguru Nagarajan , Selvaraj Palanisamy , Kanagalakshimi Ambothi , Narendra Kuppan , Shanmuga Sundaram Chinna Krishnan , Murali Raju 
Published: June 2024

AbstractThe extensive use of chemical pesticides has significantly boosted agricultural food crop yields. Nevertheless, their excessive and unregulated application has resulted in food contamination and pollution in environmental, aquatic, and agricultural ecosystems. Consequently, the on‐site monitoring of pesticide residues in agricultural practices is paramount to safeguard global food and conservational safety. Traditional pesticide detection methods are cumbersome and ill‐suited for on‐site pesticide finding. The systematic review provides an in‐depth analysis of the current status and perspectives of nanobiosensors (NBS) for pesticide detection in the agricultural arena. Furthermore, the study encompasses the fundamental principles of NBS, the various transduction mechanisms employed, and their incorporation into on‐site detection platforms. Conversely, the assortment of transduction mechanisms, including optical, electrochemical, and piezoelectric tactics, is deliberated in detail, emphasizing its advantages and limitations in pesticide perception. Incorporating NBS into on‐site detection platforms confirms a vital feature of their pertinence. The evaluation reflects the integration of NBS into lab‐on‐a‐chip systems, handheld devices, and wireless sensor networks, permitting real‐time monitoring and data‐driven decision‐making in agronomic settings. The potential for robotics and automation in pesticide detection is also scrutinized, highlighting their role in improving competence and accuracy. Finally, this systematic review provides a complete understanding of the current landscape of NBS for on‐site pesticide sensing. Consequently, we anticipate that this review offers valuable insights that could form the foundation for creating innovative NBS applicable in various fields such as materials science, nanoscience, food technology and environmental science.
Hybrid coatings on dental and orthopedic titanium implants: Current advances and challenges
Authors: Tang Weilong , Fischer Nicholas G. , Kong Xinzi , Sang Ting , Ye Zhou 
Published: June 2024

AbstractDental and orthopedic titanium implants are successfully and widely used but still face challenges due to complications leading to high treatment cost, morbidity, and even mortality. This review focuses on the hybrid coatings designed to prevent and mitigate implant failure by integrating multiple strategies and materials. The forms of manufacturing and synthesizing hybrid coatings were first discussed. We then categorize these coatings based on their biological functions: antibacterial coatings, which are essential for preventing difficult‐to‐treat infection; coatings designed to promote osseointegration, crucial for the mechanical stability of implants; coatings that encourage soft tissue attachment, contributing to the overall success and esthetics of implant. We summarize the state of the art in multifunctional coatings that integrate multiple biological functions as an alternative, holistic approach for reducing implant complications. The review culminates in a discussion on future directions in the field, emphasizing the potential and notable challenges these biofunctional hybrid coatings face toward obtaining commercial success in patients. Together, our article provides a comprehensive overview of current developments and a glimpse into the future of hybrid coatings for potentially revolutionizing dental and orthopedic implants.
High‐throughput in silico workflow for optimization and characterization of multimodal chromatographic processes
Authors: Altern Scott H. , Lyall Jessica Y. , Welsh John P. , Burgess Sean , Kumar Vijesh , Williams Chris , Lenhoff Abraham M. , Cramer Steven M. 
Published: June 2024

AbstractWhile high‐throughput (HT) experimentation and mechanistic modeling have long been employed in chromatographic process development, it remains unclear how these techniques should be used in concert within development workflows. In this work, a process development workflow based on HT experiments and mechanistic modeling was constructed. The integration of HT and modeling approaches offers improved workflow efficiency and speed. This high‐throughput in silico (HT‐IS) workflow was employed to develop a Capto MMC polishing step for mAb aggregate removal. High‐throughput batch isotherm data was first generated over a range of mobile phase conditions and a suite of analytics were employed. Parameters for the extended steric mass action (SMA) isotherm were regressed for the multicomponent system. Model validation was performed using the extended SMA isotherm in concert with the general rate model of chromatography using the CADET modeling software. Here, step elution profiles were predicted for eight RoboColumn runs across a range of ionic strength, pH, and load density. Optimized processes were generated through minimization of a complex objective function based on key process metrics. Processes were evaluated at lab‐scale using two feedstocks, differing in composition. The results confirmed that both processes obtained high monomer yield (>85%) and removed of aggregate species. Column simulations were then carried out to determine sensitivity to a wide range of process inputs. Elution buffer pH was found to be the most critical process parameter, followed by resin ionic capacity. Overall, this study demonstrated the utility of the HT‐IS workflow for rapid process development and characterization.
The mucosal released‐coronally advanced flap: A novel surgical approach—A case report
Authors: Pilloni Andrea , Dell'Olmo Fabiola 
Published: June 2024

AbstractBackgroundThe coronally advanced flap (CAF) can be a predictable surgical technique for the treatment of gingival recessions. However, the characteristics of the defect (e.g., limited amount of keratinized gingiva or flap tension, etc.) may limit the use of the CAF with a possible requirement of additional surgical interventions (i.e., the use of a tissue graft to be harvested from donor sites or connective tissue substitutes).MethodsA 28‐year‐old woman patient, with no history of periodontal disease, came for referral presenting receding gums as a chief complaint, poor esthetics, and dentinal hypersensitivity at the buccal surface of teeth 11, 12, and 13. Clinically, she presented a thick phenotype with gingival recession type, RT1, with detectable cemento‐enamel junction (A‒) in the second quadrant. To reduce the need of harvesting soft tissue grafts, the amount of cutting of muscles and vessels from the inner portion of the flap and mitigate the postoperative discomfort associated with the CAF, a novel surgical approach is described here using an advanced flap that incorporates an external incision along the mucogingival junction.ResultsThe average root coverage achieved with the novel procedure presented in this case report was 95%, along with an increased amount of keratinized gingiva and minimal postoperative patient's discomfort.ConclusionsThe mucosal released CAF is a promising technique in which the CAF technique alone may not be an indication.Key pointsThis technique has the following advantages:

Reduce the need of harvesting soft tissue grafts.
Reduce the amount of cutting of muscles and vessels from the inner portion of the flap.
Minimal postoperative discomfort for the patient.
New Phenylpropanoids and Disulphides Dimers from Ferula Kuhistanica
Authors: Ashurov Khushang , Numonov Sodik , Turak Ablajan 
Published: June 2024

AbstractFive undescribed compounds, including three phenylpropanoid derivatives, 4′‐methoxycinnamyl isobutyrate (1), 4′‐methoxycinnamyl‐2“‐methyl butyrate (2) and (2Z)‐3′,4′‐dimethoxycinnamyl isovalerate (3) and two disulphides dimers, kuhistanicasulphide A (7) and kuhistanicasulphide B (8) together with five known ones, including three phenylpropanoids (4–6) and two disulphides (9–10), were isolated from the roots of Ferula kuhistanica Korovin. Their structures were elucidated on the basis of spectroscopic analysis, including IR, UV, HRESIMS, NMR and quantum 13C NMR DP4+ probability. Anti‐inflammatory and cytotoxic (Hela, A549 and HT‐29 cell lines) activities of the obtained compounds was tested, which compounds 4 and 5 demonstrated good anti‐inflammatory with IC50 values of 25.41±2.30 μM and 31.70±3.82 μM, respectively.
Production of C2−C4 Olefins with Fischer‐Tropsch‐Synthesis: The Effect of Cu Promoter Loading on an Fe−Cu−K/SiO2 Catalyst
Authors: Heikkinen Niko , Dhamo Dorela , Uotila Ida , Reinikainen Matti , Dittmeyer Roland 
Published: June 2024

AbstractIn this study we focus on the iron‐based catalyst to produce C2−C4 olefin hydrocarbons via the high‐temperature Fischer‐Tropsch synthesis. Promoters have a significant impact on catalyst stability, activity, and product selectivity. Therefore, we investigated the effect of the Cu promoter in an Fe−Cu−K/SiO2 catalyst. We compared the catalyst without Cu and 1, 2, 3, 4, and 5 wt % Cu loadings. The overall catalyst activity increased from 0 to 3 wt % Cu loading and started to decrease at 4 and 5 wt % Cu loadings. Although overall catalyst activity had an optimum with 3 and 4 wt % Cu loading, the Cu loading had a negligible effect on product selectivity. However, when compared to a non‐Cu promoted catalyst, the Cu addition increased the selectivity towards olefinic C2−C4 hydrocarbons. The Fischer‐Tropsch experiments were performed in a tubular reactor system at 300 °C, 21 bar and H2 : CO=2 at different feed volume flows, with hydrogen activation. According to the performed temperature‐programmed dynamic chemisorption analysis, the Cu promoter assisted the iron reduction, and the lower overall activity to 0–2 wt % Cu loading might relate to insufficient dissociated H surface species, rather than the availability of C from dissociated CO.
Pathways to chronic disease detection and prediction: Mapping the potential of machine learning to the pathophysiological processes while navigating ethical challenges
Authors: Afrifa‐Yamoah Ebenezer , Adua Eric , Peprah‐Yamoah Emmanuel , Anto Enoch O. , Opoku‐Yamoah Victor , Acheampong Emmanuel , Macartney Michael J. , Hashmi Rashid 
Published: June 2024

AbstractChronic diseases such as heart disease, cancer, and diabetes are leading drivers of mortality worldwide, underscoring the need for improved efforts around early detection and prediction. The pathophysiology and management of chronic diseases have benefitted from emerging fields in molecular biology like genomics, transcriptomics, proteomics, glycomics, and lipidomics. The complex biomarker and mechanistic data from these “omics” studies present analytical and interpretive challenges, especially for traditional statistical methods. Machine learning (ML) techniques offer considerable promise in unlocking new pathways for data‐driven chronic disease risk assessment and prognosis. This review provides a comprehensive overview of state‐of‐the‐art applications of ML algorithms for chronic disease detection and prediction across datasets, including medical imaging, genomics, wearables, and electronic health records. Specifically, we review and synthesize key studies leveraging major ML approaches ranging from traditional techniques such as logistic regression and random forests to modern deep learning neural network architectures. We consolidate existing literature to date around ML for chronic disease prediction to synthesize major trends and trajectories that may inform both future research and clinical translation efforts in this growing field. While highlighting the critical innovations and successes emerging in this space, we identify the key challenges and limitations that remain to be addressed. Finally, we discuss pathways forward toward scalable, equitable, and clinically implementable ML solutions for transforming chronic disease screening and prevention.
Machine Learning Orchestrating the Materials Discovery and Performance Optimization of Redox Flow Battery
Authors: Tang Lina , Leung Puiki , Xu Qian , Flox Cristina 
Published: June 2024

AbstractThis review exploits the crucial role of computational methods in discovering and optimizing materials for redox flow batteries (RFBs). Integration of high‐throughput computational screening (HTCS) and machine learning (ML) accelerates materials discovery, guided by algorithms categorizing RFBs. A collaborative exploration, spanning macroscopic to mesoscopic scales, combines quantum machine learning with reinforcement learning, transfer learning, time series analysis, Bayesian optimization, active learning and various generative models. The collaborative integration of ML with computational techniques and experimental methods, anchored in experimentally validated Density Functional Theory (DFT) calculations and molecular dynamics (MD) simulations, proves indispensable for cost‐effective RFBs. Data collection and feature engineering are explored, emphasizing the integration of optimization goals and precise data collection within the ML framework. Feature analysis importance is highlighted, utilizing methods such as the filter, embedded, wrapper and deep learning methods for efficient energy materials exploration. Computational perspectives on materials features and operating conditions encompass membrane characteristics, fluid dynamics, temperature dependence and pressure sensitivity. Time‐dependent features and ML‐generated insights are crucial for understanding cycling performance intricacies, providing a comprehensive understanding of RFB materials.
Functional Biomass‐Derived Materials for the Development of Sustainable Batteries
Authors: Feng Ailing , Zhu Xu , Chen Yanan , Liu Peitao , Han Fengbo , Zu Yanqing , Li Xiaodong , Bi Pengfei 
Published: June 2024

AbstractWith a continually evolving society and increasing environmental energy concerns, green biomass materials are attracting considerable attention in the field of energy storage owing to their low cost, environmental friendliness, and excellent storage capacity. Biomass materials prepared by various methods have been used as electrodes in secondary batteries. In this review, we discuss the application scope of different types of biomass and biomass‐derived materials in zinc‐air, lithium‐ion, and lithium‐sulfur batteries. The application of biomass and biomass‐derived materials in batteries is gaining increasing attention and is expected to drive many exciting innovations in the field of sustainable energy storage technologies.
Valorization of Corn Straw for Production of Glucose by Two‐Step Depolymerization
Authors: Ma Yangyang , Li Mengge , Lu Tianliang , Yang Xiaomei , Zhou Lipeng 
Published: June 2024

AbstractDepolymerization of the cellulose part in lignocellulose to glucose is a significant step for lignocellulose valorization. As one of the main by‐products of agricultural biomass in crop‐producing filed, valorization of corn straw has attracted considerable attention. In this study, a two‐step depolymerizing strategy of high‐pressure CO2−H2O pretreatment and oxidation‐hydrolysis was applied for selective depolymerization of the cellulose component of corn straw to glucose production. Most part of the hemicellulose component could be removed through high‐pressure CO2−H2O pretreatment in the presence of low concentration of acetic acid, and then as high as 32.2 % yield of glucose was achieved in water at 170 °C for 6 h without additional catalyst. The active acid sites generated during the partial oxidation of hydroxymethyl groups to carboxyl groups on glucose units of cellulose was shown to be crucial for the efficient valorization of corn straw for glucose production.
Tuning the Flavin Core via Donor Appendage for Selective Subcellular Bioimaging and PDT Application
Authors: Agrawal Harsha Gopal , Khatun Sajmina , Rengan Aravind Kumar , Mishra Ashutosh Kumar 
Published: June 2024

AbstractHerein, we report a novel flavin analogue as singular chemical component for lysosome bioimaging, and inherited photosensitizer capability of the flavin core was demonstrated as a promising candidate for photodynamic therapy (PDT) application. Fine‐tuning the flavin core with the incorporation of methoxy naphthyl appendage provides an appropriate chemical design, thereby offering photostability, selectivity, and lysosomal colocalization, along with the aggregation‐induced emissive nature, making it suitable for lysosomal bioimaging applications. Additionally, photosensitization capability of the flavin core with photostable nature of the synthesized analogue has shown remarkable capacity for generating reactive oxygen species (ROS) within cells, making it a promising candidate for photodynamic therapy (PDT) application.
Ligand Conformation Controls Assembly of a Helicate/Mesocate, Heteroleptic [Pd2L2L′2] Cages and a Six‐Jagged [Pd6L12] Ring
Authors: Benchimol Elie , Ebbert Kristina E. , Walther Alexandre , Holstein Julian J. , Clever Guido H. 
Published: June 2024

AbstractMolecular building blocks, capable of adopting several strongly deviating conformations, are of particular interest in the development of stimuli‐responsive self‐assemblies. The pronounced structural flexibility of a short acridone‐based bridging ligand, equipped with two monodentate isoquinoline donors, is herein exploited to assemble a surprisingly diverse series of coordination‐driven Pd(II) architectures. First, it can form a highly twisted Pd2L4 helicate, transformable into the corresponding mesocate, controlled by temperature, counter anion and choice of solvent. Second, it also allows the formation of heteroleptic cages, either from a mix of ligands with Pd(II) cations or by cage‐to‐cage transformation from homoleptic assemblies. Here, the acridone‐based ligand tolerates counter ligands that carry their donors either in a diverging or converging arrangement, as it can rotate its own coordination sites by 90° and structurally adapt to both situations via shape complementarity. Third, by a near 180° rotation of only one of its arms, the ligand can adopt an S‐shape conformation and form an unprecedented C6h‐symmetric Pd6L12 saw‐toothed six‐membered ring.
Rhodium‐Catalyzed Enantioselective Intramolecular Hydroalkoxylation of Allenes and Application in the Total Synthesis of (R,R,R)‐α‐Tocopherol
Authors: Daiger Martin T. , Giofré Sabrina , Berthold Dino , Breit Bernhard 
Published: June 2024

AbstractWe report herein of a novel, enantioselective and rhodium‐ catalyzed cyclisation of allenyl alcohols towards chiral α‐vinylic, cyclic ethers employing a rhodium/(R,R)‐Me‐ferrocelane catalyst. The corresponding chiral cyclic products were obtained in general high yields and enantioselectivities. The synthetic value of our obtained products was further exemplified by transformations of the allylic ether function. Furthermore, applying our newly developed method in our previously reported route towards the total synthesis of (R,R,R)‐α‐tocopherol, we accomplished a significantly improved 2nd generation synthesis of the chromane building providing a total number of 13 steps and an overall total yield of 27 %.
Palladium/Xu‐Phos Catalyzed Enantioselective Intramolecular Heck Reaction of Unactivated Alkenes
Authors: Zhou Lujia , Ma Longling , Xu Bing , Zhang Zhan‐Ming , Zhang Junliang 
Published: June 2024

Comprehensive SummaryA highly enantioselective palladium‐catalyzed intramolecular Heck reaction of unactivated alkenes is developed, which provides a powerful route to access a broad range of chiral 3,3‐disubstituted‐2,3‐dihydrobenzofurans bearing all‐carbon quaternary stereocenter of interest in pharmaceutical research. Its salient features include high yield, excellent chemo‐ and enantioselectivity, mild conditions, a broad substrate scope as well as versatile transformations of the product.
Pillar[5]arene and Azine Derivative Assembly Improved Dual‐Channel Detection of CN–
Authors: Su Qing‐Ling , Chen Jin‐Fa , Sun Xiao‐Mei , Liu Juan , Dai Xin‐Yu , Wei Tai‐Bao , Yao Hong , Lin Qi 
Published: June 2024

Comprehensive SummaryThe cyanide anion (CN–) is known to be one of the most toxic anions. Therefore, there is an urgent need to develop a reliable, sensitive, selective, rapid and effective method for the detection of CN–. Here, a self‐assembly strategy based on pillar[5]arene P5 and azine derivative AZ was used to construct supramolecular sensors, and it was found that the detection effect of CN– was significantly improved by the assembly strategy. The sensitivity of the assembled sensor P5‐AZ to CN– is more than 10 times higher than that of AZ. The detect mechanism was further investigated by theoretical calculations and 1H NMR. The results showed that AZ detects CN– by a deprotonation process with fluorescence enhancement, while P5‐AZ improves the sensitivity of CN– recognition through hydrogen bonding, anion‐π and anion‐dipole interactions, as well as the strong bonding ability of the assembly. Supramolecular assembly P5‐AZ has the advantages of low toxicity, high sensitivity, and more importantly, it provides a method to detect CN– sensitivity in the aqueous phase and organisms by host‐guest assembly.
Impact of lung cancer screening on stage migration and mortality among the national Veterans Health Administration population with lung cancer
Authors: Edwards Donna M. , Pirzadeh Mina , Van Tony , Jiang Ralph , Tate Akshay , Schaefer Grace , James Jadyn , Bishop Caroline , Wilson Cydnee , Nedzesky Nicholas , Alseri Aaren , Leveque Anthony , Malus Amanda , Waljee Akbar , Elliott David A. , Deng Jane , Schwartz Ann , Schipper Matthew , Bryant Alex K. , Ramnath Nithya , Green Michael D. 
Published: June 2024

AbstractBackgroundDespite randomized trials demonstrating a mortality benefit to low‐dose computed tomography screening to detect lung cancer, uptake of lung cancer screening (LCS) has been slow, and the benefits of screening remain unclear in clinical practice.MethodsThis study aimed to assess the impact of screening among patients in the Veterans Health Administration (VA) health care system diagnosed with lung cancer between 2011 and 2018. Lung cancer stage at diagnosis, lung cancer–specific survival, and overall survival between patients with cancer who did and did not receive screening before diagnosis were evaluated. We used Cox regression modeling and inverse propensity weighting analyses with lead time bias adjustment to correlate LCS exposure with patient outcomes.ResultsOf 57,919 individuals diagnosed with lung cancer in the VA system between 2011 and 2018, 2167 (3.9%) underwent screening before diagnosis. Patients with screening had higher rates of stage I diagnoses (52% vs. 27%; p ≤ .0001) compared to those who had no screening. Screened patients had improved 5‐year overall survival rates (50.2% vs. 27.9%) and 5‐year lung cancer–specific survival (59.0% vs. 29.7%) compared to unscreened patients. Among screening‐eligible patients who underwent National Comprehensive Cancer Network guideline–concordant treatment, screening resulted in substantial reductions in all‐cause mortality (adjusted hazard ratio [aHR], 0.79; 95% confidence interval [CI], 0.67–0.92; p = .003) and lung‐specific mortality (aHR, 0.61; 95% CI, 0.50–0.74; p < .001).ConclusionsWhile LCS uptake remains limited, screening was associated with earlier stage diagnoses and improved survival. This large national study corroborates the value of LCS in clinical practice; efforts to widely adopt this vital intervention are needed.