bluuebunny/crossref_metadata_2025_split huggingface dataset:
High sensitivity flexible piezoelectric nanogenerator based on multi‐layer piezoelectric composite fiber for human motion energy harvesting
Authors: Xue Rui , Huang Yan , Zhang Jiyan , Wang Tengyue , Wu Yibo , Shi Qisong 
Published: August 2024

AbstractIn this study, a piezoelectric nanogenerator (PENG) based on multilayer composite fiber had good and stable piezoelectric output performance, which could realize biomechanical energy collection and human movement monitoring. The polyvinylidene fluoride‐hexafluoryl propylene (P(VDF‐HFP)) composite fiber doped with MXene was used as a promising piezoelectric functional layer (MPFP). By electrospinning, P(VDF‐HFP) composite fiber was constructed by alternating electrospinning with polyurethane (TPU) nanofibers layer by layer. The adoption of MXene as a functional filler promoted the transformation of P(VDF‐HFP) from α to piezoelectric β‐crystal, the piezoelectric β‐crystal content of P(VDF‐HFP) increased, and the dielectric properties and polarization levels were enhanced. At the same time, the multi‐layer structure design improved the piezoelectric sensitivity and mechanical properties of the composite fiber, and the composite fiber was more flexible and had longer tensile strain. With excellent dielectric and mechanical properties, 3MPFP/TPU/3MPFP/TPU multilayer composite fibers showed piezoelectric sensitivity of 10.88 V/kPa. Under the action of palm pressing, the PENG generated an open circuit voltage of 25 V, and the voltage signal of the device under different motion forms had specific characteristics such as peak value, frequency, and shape, which could be used to realize the analysis of human motion forms. This study provided an efficient, simple, and creative new idea for the application of flexible energy storage electronic devices, PENGs, and piezoelectric sensors.
Price and Non‐Price Factors in Development of Rice Cultivation: Case Studies From Southern India and Mekong‐Delta Vietnam
Authors: Johnson Deepak , Kurosaki Takashi 
Published: August 2024

ABSTRACTThe high rice prices of 2023 have highlighted the need for increasing rice productivity. But improving productivity, especially in low‐performing rice‐producing regions, should also improve incomes for the numerous smallholder cultivators. This article examines what we can learn from the experience of high‐performing rice‐growing regions, which have both high rice yields and incomes. We focus on two best‐performing villages from Kerala, southern India and Mekong Delta, Vietnam. Using a detailed case study approach combining farm budget analysis, counterfactual simulations using agricultural household models, and qualitative insights, our analysis shows the contribution of price support, irrigation, and agricultural research in these two regions to the current situation. While price support was the prominent factor in Keralaʼs village, irrigation and extending the cropping intensity was important for farm incomes in the Mekong Delta village. This comparative analysis demonstrates the need for an ongoing evaluation of price and non‐price factors and supplementing farm incomes through specific interventions for developing low‐performing rice‐producing regions.
Journal recommended guidelines for survey‐based research
Authors: Wilson Adam B. , Bay Boon Huat , Byram Jessica N. , Carroll Melissa A. , Finn Gabrielle M. , Hammer Niels , Hildebrandt Sabine , Krebs Claudia , Wisco Jonathan J. , Organ Jason M. 
Published: August 2024

AbstractSurvey‐based research is vital in education and social sciences, offering insights into human behaviors and perceptions. The prevalence of such studies in medical education has risen by 33% over the past decade. Despite this growth, the utility of survey findings depends on the study design quality and measure validity. Many manuscripts are rejected due to poor planning and lack of validity evidence. These guidelines aim to improve the rigor and reporting of survey‐based research, ensuring credibility and reproducibility. They apply to various survey tools and evaluations, setting a standard for manuscript quality and informing the review process for Anatomical Science Education.
Photophysics and Excited State Reactions of [Ru(bpy)2dppn]2+: A Computational Study
Authors: Bozzi A. S. , Rocha W. R. 
Published: August 2024

AbstractIn this work, we used DFT and TD‐DFT in the investigation of the structural parameters and photophysics of the complex [Ru(bpy)2dppn]2+ (dppn=benzo[i]‐dipyrido[3,2‐a:2’,3’‐c]phenazine) in water, and its suitability as a photosensitizer (PS) in photodynamic therapy (PDT). For that, the thermodynamics of electron transfer (ET) and energy transfer (ENT) reactions in the excited state with molecular oxygen and guanosine‐5’‐monophosphate (GMP) were investigated. The overall intersystem crossing (ISC) rate constant was approximately 1012 s−1, indicating that this process is highly favorable, and the triplet excited states are populated. The triplet excited states are known to lead to photoreactions between the PS and species of the medium or directly with nucleobases. Here, we show that the Ru‐dppn complex can react favorably to oxidize the GMP and generate singlet oxygen. Furthermore, this complex can also act as an intercalator between DNA base pairs and undergo dual‐channel reactions. It has been proposed that the T2 excited state is responsible for oxidizing the GMP, but we show that T1 is thermodynamically capable of undergoing the same reaction. In this sense, docking simulations were carried out to investigate further the interactions of the Ru‐dppn complex with a DNA fragment.
Electrocatalytic Hydrogen Generation by Ni‐PN3P Pincer Complexes: Role of Phosphorus Substituents in Tuning the Reactivity
Authors: Chatterjee Sudipta , Dutta Indranil , Dereli Busra , Chakraborty Priyanka , Peramaiah Karthik , Gupta Neha , Cavallo Luigi , Huang Kuo‐Wei 
Published: August 2024

AbstractElectrocatalytic hydrogen evolution reaction (eHER) is crucial in addressing the growing global energy demand. Although nickel‐pincer‐based molecular complexes, varying in donor atoms, were studied previously for eHER, the impact of variations in the substituents attached to the donor atoms was not investigated. Herein, three air‐stable R1PN3PR2‐based NiII–pincer complexes [R1=R2=Ph2 (7); R1=R2=tBu2 (9); R1=tBu2, R2=Ph2 (10)], varying solely in P‐substituents, were studied in acetonitrile. While the redox potentials for NiII/I and NiI/0 couples underwent anodic shifts by ~100 mV upon progressively substituting tert‐butyl by phenyl groups on each P‐atom, the corresponding eHER reactivity with organic acids (acetic acid, p‐toluenesulfonic acid and trifluoromethanesulfonic acid) of different strengths followed different trends; likely influenced by the pKa of intermediate metal‐hydride (M–H) species [pKa(M–H9)>pKa(M–H10)>pKa(M–H7)]. Depending on the acid strength, different oxidation states of the metal were activated to promote eHER. The catalytic rates for 9, 10, and 7 were calculated to be 85 s−1, 77 s−1 and 95 s−1 with Faradaic efficiencies of 88.5±2 %, 66.1±1.4 %, and 91.7±1.5 % respectively, in acetic acid. Electrochemical data supported by theoretical results reinforce a significant electronic influence of the anchoring P‐substituents on the activity of these complexes.
The effects of goal setting, notification alerts, and sharing results with peers on smartphone usage
Authors: Hauksdóttir Steingerður , Sveinbjörnsdóttir Berglind , Steingrímsdóttir Hanna Steinunn 
Published: August 2024

AbstractSmartphones are highly complex machines serving multiple purposes. Although access to different applications may be a source of inspiration and may lead to increased well‐being, excessive screen time usage can lead to increased stress, reduced physical activity, and neck and shoulder discomfort. The purpose of the present study was to evaluate the effects of (a) goal setting, (b) turning off notifications, and (c) sharing information about screen time with peers on smartphone usage in a sample of young adults who reported interest in reducing their smartphone usage. Goal setting and turning off notifications for social media applications effectively reduced smartphone usage for five out of seven participants. Sharing information with peers did not lead to decreased smartphone usage. Follow‐up measures showed an increase in smartphone usage compared to the intervention phases. With only a few studies on strategies to reduce smartphone usage within behavior analysis, the current study expands the literature and provides directions for future studies.
Circadian lighting effect for inpatients with schizophrenia: A prospective cohort study
Authors: Tsai Ya‐Chi , Jou Jwo‐Huei , Hsu Ching‐Chi , Shih Ming‐Chang , The Luke , Sharma Dipanshu 
Published: August 2024

AbstractObjectivesIn schizophrenia, nonspecific lighting likely causes sleep timing disturbances, leading to distress and poorer clinical status. However, the effect of exposure to circadian lighting on psychopathology outcome in schizophrenia remains unknown. Hence, this study aimed to develop such an intervention and investigate its impact on schizophrenia.MethodsTwenty schizophrenia patients at a psychiatric nursing institute were monitored over 10 weeks, with assessments using the Brief Psychiatric Rating Scale (BPRS) and Mini‐Mental State Examination (MMSE) conducted at baseline, weeks 3 (T1), 7 (T2), and 10 (T3).ResultsCircadian lighting significantly improved BPRS scores between T1–T2 (p < .05) and T1–T3 (p < .001), with affectivity scores also showing significant enhancements postintervention. Notably, female participants exhibited substantial improvements in BPRS scores from T1 to T3 (p < .01), while male participants demonstrated significant gains in MMSE scores from T1 to T2 (p < .01).ConclusionsCircadian lighting presents a promising intervention for improving psychiatric outcomes in schizophrenia, with distinct benefits observed across different psychopathological aspects and genders. These findings underscore the potential of lighting chronotherapy in psychiatric clinical practice and warrant further exploration in related research.
Inhibition Effects of Some Non‐Proteinogenic Amino Acid Derivatives on Carbonic Anhydrase Isoenzymes and Acetylcholinesterase: An In Vitro Inhibition and Molecular Modeling Studies
Authors: Alım Zuhal , Rawat Ravi , Adem Şevki , Eyüpoğlu Volkan , Akkemik Ebru 
Published: August 2024

AbstractAmino acid derivatives are molecules of interest for medicinal chemistry and drug design studies due to their important chemical properties. In this study, the inhibition effects of some non‐proteinogenic amino acid derivatives (hippuric acid (A), N‐(9‐Fluorenylmethoxycarbonyl)‐D‐valine (B), N‐Z‐(1‐Benzotriazolylcarbonyl) methylamine (C), (S)‐N‐Z‐1‐Benzotriazolylcarbonyl‐2‐phenylethylamine (D)) on carbonic anhydrase I (hCA‐I), II (hCA‐II) isoenzymes and acetylcholinesterase (AChE) activity, whose inhibitors are of vital pharmacological importance, were examined. While carbonic anhydrase (CA) inhibitors are effective molecule candidates for the treatment of many diseases from glaucoma to cancer, acetylcholinesterase inhibitors are target molecules for the treatment of Alzheimer′s disease. According to the results of this study, compound D had a strong inhibitory effect on hCA‐I (IC50: 0.836 μM) and hCA‐II (IC50: 0.661 μM), while compound B (IC50: 100 μM) showed a strong inhibitory effect on AChE activity. In addition, inhibition results were supported by molecular modeling studies. We hope that the obtained results will contribute to the synthesis of new and effective amino acid derivative inhibitors for CA and AChE.
Management strategies for preventing and recovering from bermudagrass winterkill
Authors: Hutchens W. J. , Carr T. Q. , Patton A. J. , Bigelow C. A. , DeBoer E. J. , Goatley J. M , Martin D. L. , McCall D. S. , Miller G. L. , Powlen J. S. , Richardson M. D. , Xiang M. 
Published: August 2024

AbstractBermudagrass (Cynodon spp. Rich) is a warm‐season grass that is widely planted throughout tropical, sub‐tropical, and even temperate climates, and it generally requires fewer inputs than most cool‐season turfgrasses. In recent years, the area of adaptation for bermudagrass has progressively expanded to cooler climates due to the development of more cold‐tolerant cultivars. The expanded area of adaptation as well as the reduced inputs required to maintain healthy turfgrass have made bermudagrass a popular choice in areas of marginal adaptation. In these areas, the greatest threat to bermudagrass health and survivability is winterkill. This management guide seeks to describe winterkill: what it looks like, what causes it, and where it occurs. Additionally, this management guide describes best management practices to both prevent winterkill and recover bermudagrass from winterkill damage.
Amide‐Based Morita–Baylis–Hillman Carbonates for Phosphine‐Catalyzed Asymmetric (4+2) Annulation†
Authors: Liu Min , Han Qihuan , Wang Lan , Chen Xi , Zhang Xue , Guo Hongchao 
Published: August 2024

Comprehensive SummaryChiral phosphine‐catalyzed asymmetric (4+2) annulation of the amide‐based Morita–Baylis–Hillman (MBH) carbonates with β,γ‐unsaturated butenolides has been developed to give enantiomer‐enriched bicyclic δ‐lactam γ‐butyrolactone compounds. The amide‐based MBH carbonates were first used as acceptor and aza‐C4 synthon in phosphine catalysis. Under mild reaction conditions, a variety of amide‐based MBH carbonates and unsaturated butenolides were well tolerated to provide chiral bicyclic δ‐lactam γ‐butyrolactone derivatives in high yields with excellent enantioselectivities as well as diastereoselectivities. A plausible reaction mechanism was also proposed based on control experiments and DFT calculations.
Unveiling the Mechanisms of Apoptosis Induction by Deep‐Sea‐Derived Polyketide‐Terpenoid Hybrids from Penicillium allii‐sativi: A Focus on Mitochondrial and mTOR Pathways
Authors: Xie Chun‐Lan , Wu Tai‐Zong , Zhang Duo , Wang Yuan , Lin Ting , Chen Hai‐Feng , Zhang Xiao‐Kun , Yang Xian‐Wen 
Published: August 2024

Comprehensive SummaryA chemical investigation of the deep‐sea‐derived fungus Penicillium allii‐sativi MCCC 3A00580 resulted in the discovery of four new meroterpenoids (1—4) and one related known co‐metabolite (5). These meroterpenoids showcase unique carbon skeletons featuring a common drimane sesquiterpene part with highly diverse polyketide units. Particularly, compound 1 incorporates a salicylic acid moiety while 2 possesses a rare peroxide bridge in the polyketide part. The structures of new compounds were assigned by extensive spectroscopic analysis, quantum calculations, and biogenetic considerations. Notably, 3 significantly blocked the mTOR signaling pathway, resulting in the arrest of cell cycle at G0‐G1 phase and triggering mitochondrial apoptosis in Hela cells. While the previously reported co‐metabolite macrophorin A (MPA) effectively triggered cell death in MDA‐MB‐231 cancer cells by activating apoptosis pathways involving death receptors, mitochondria, mTOR, and TNF.
Molecules as Lubricants at the Nanoscale:Tunable Growth of Organic Structures from Nano‐ to Millimeter‐Scale Using Solvent Vapour Annealing
Authors: Benekou Vasiliki , Candini Andrea , Liscio Andrea , Palermo Vincenzo 
Published: August 2024

AbstractThe creation of ordered structures of molecules assembled from solution onto a substrate is a fundamental technological necessity across various disciplines, spanning from crystallography to organic electronics. However, achieving macroscopic order poses significant challenges, since the process of deposition is inherently impacted by factors like solvent evaporation and dewetting flows, which hinder the formation of well‐organized structures.Traditional methods like drop casting or spin coating encounter limitations due to the rapid kinetics of solvent evaporation, leading to limited control over final uniformity and order.In response to these challenges, Solvent Vapour Annealing (SVA) has emerged as a promising solution for realizing ordered molecular structures at scales ranging from nano‐ to milli‐ meters. SVA decouples the self‐assembly stage from the deposition stage by utilizing solvent vapours which can enable rearrangement, movement, and diffusion of large molecules on the surface even on a macroscopic scale. Essentially acting as “molecular lubricants,” solvent vapours enable the formation of well‐ordered molecular films. This review discusses the advancements, obstacles, and promising strategies associated with utilizing SVA for the development of innovative nanostructured thin films, and emphasizes the originality and effectiveness of molecular assembly on substrates achieved through this approach.
Interplay of physical and recognition performance using hierarchical continuous‐time dynamic modeling and a dual‐task training regime in Alzheimer's patients
Authors: Schwarck Svenja , Voelkle Manuel C. , Becke Andreas , Busse Nancy , Glanz Wenzel , Düzel Emrah , Ziegler Gabriel 
Published: August 2024

AbstractTraining studies typically investigate the cumulative rather than the analytically challenging immediate effect of exercise on cognitive outcomes. We investigated the dynamic interplay between single‐session exercise intensity and time‐locked recognition speed‐accuracy scores in older adults with Alzheimer's dementia (N = 17) undergoing a 24‐week dual‐task regime. We specified a state‐of‐the‐art hierarchical Bayesian continuous‐time dynamic model with fully connected state variables to analyze the bi‐directional effects between physical and recognition scores over time. Higher physical performance was dynamically linked to improved recognition (−1.335, SD = 0.201, 95% Bayesian credible interval [BCI] [−1.725, −0.954]). The effect was short‐term, lasting up to 5 days (−0.368, SD = 0.05, 95% BCI [−0.479, −0.266]). Clinical scores supported the validity of the model and observed temporal dynamics. Higher physical performance predicted improved recognition speed accuracy in a day‐by‐day manner, providing a proof‐of‐concept for the feasibility of linking exercise training and recognition in patients with Alzheimer's dementia.Highlights
Hierarchical Bayesian continuous‐time dynamic modeling approach
A total of 72 repeated physical exercise (PP) and integrated recognition speed‐accuracy (IRSA) measurements
PP is dynamically linked to session‐to‐session variability of IRSA
Higher PP improved IRSA in subsequent sessions in subjects with Alzheimer's dementia
Short‐term effect: lasting up to 4 days after training session
Advantages and Disadvantages of Using AI in Dermatology
Authors: Gholizadeh Nasim , Rokni Ghasem Rahmatpour , Babaei Mahsa 
Published: August 2024

ABSTRACTIntroductionArtificial intelligence (AI) in dermatology is both promising and challenging. This is important for clinicians to recognize most up‐to‐date knowledge and advancements.ResultsAdvantages include timely detection and diagnosis, enhanced accuracy, efficient triage, workflow automation, personalized treatment, outcome prediction, education support, telemedicine aid, research facilitation, cost‐efficiency, scalability, and drug development. However, limitations include generalizability issues, image quality variations, data requirements, interpretability concerns, patient acceptance, liability, multidisciplinary coordination challenges, data bias risks, lack of explainability, potential loss of clinical skills, security and privacy risks, resource intensiveness, integration challenges, validation and regulation gaps, and limited clinical assessment. Bridging these gaps requires robust ethical frameworks, interdisciplinary collaboration, education, regulation focusing on patient safety and privacy, standardized data sets, transparency, and human oversight.ConclusionDespite the challenges, AI holds significant potential to revolutionize dermatology practice, improving patient outcomes, healthcare accessibility, and research advancements. Further research and interdisciplinary collaboration are crucial to maximize AI's benefits and address its limitations effectively.
Influence of Substituents on Haptotropic Rearrangements of Manganese(I)‐Phenalenide Complexes
Authors: Ledesma‐Olvera Lydia Gabriela , Barquera‐Lozada José Enrique 
Published: August 2024

AbstractPolycyclic Odd Alternant Hydrocarbons (POAHs) exhibit a characteristic electronic distribution that differs from that of even‐alternant hydrocarbons like naphthalene. We analyze how these electronic differences modify the bonding scenario and haptotropic migrations in complexes with POAH. Specifically, we examine manganese(I) complexes with mono‐functionalized phenalenide, varying both the position and nature of the substituent. We found that the prefered position of the substituent depends on the nature of the functional group.
electron‐donor groups favor the
position, while
electron‐withdrawing prefer the
position in the phenalenide. Contrary to naphthalene chromium complex, the Laplacian of the electron density,
ρ(r)), depicts the metal‐ligand interaction of these manganese(I)‐POAH complexes, consisting in
position as charge donor atoms, and
positions as charge acceptor atoms.
Catalytic Asymmetric Synthesis of Chiral Fluorenes: Recent Developments and Future Perspectives
Authors: Ou Tianyuan , Xiang Liming , Zhou Ying , Jiang Feng , Wang Xi , Guo Wengang 
Published: August 2024

AbstractThe chiral fluorene fragment constitutes one of the most important scaffolds frequently found in numerous bioactive molecules, ligands, and advanced functional materials due to its unique physical properties. In this context, various transition metal‐ and organo‐catalyzed asymmetric reactions have been developed to prepare chiral fluorenes with high optical purity. In the present mini‐review, we summarize fifteen years of achievements in the catalytic asymmetric synthesis of chiral fluorenes and their derivatives. Particular attention is given to the strategies used and mechanistic aspects of some significant reactions. Moreover, the cutting‐edge developments in the catalytic asymmetric synthesis of silafluorenes are also highlighted.
Diethyl Mesoxalate, A Representative Tricarbonyl Compound – A Useful Synthetic Tool Possessing Diverse Reactivities
Authors: Nishiwaki Nagatoshi 
Published: August 2024

AbstractDiethyl mesoxalate, a vicinal tricarbonyl compound, possesses multiple functionalities that facilitate diverse chemical conversions. The central carbonyl group with two ester functionalities exhibits high electrophilicity to accept nucleophilic attacks of various reagents. This unusual electrophilicity enables the reaction with acid amides that are not common nucleophiles in organic syntheses. Condensation with active methylene compounds or amines leads to electron‐deficient alkenes and imines, respectively, which can be transformed into more complex polyfunctionalized compounds by a second nucleophilic addition. Chemical transformations between the central and adjacent ester carbonyls furnish new ring systems that are useful in material and pharmaceutical sciences. The central carbonyl group can also be built into a ring system by reacting with reagents possessing nucleophilic and electrophilic sites. Furthermore, the central carbonyl serves as a dienophile that undergoes cycloaddition to form functionalized heterocyclic compounds in a single step.