bluuebunny/crossref_metadata_2025 huggingface dataset:
Diphenylacetylene‐Incorporating Octaphyrin: A Rigid Macrocycle with Readily Separable Conformational Isomers
Authors: Han Puren , Duan Zhiming , Shao Min , Sessler Jonathan L. , Lei Chuanhu
Published: August 2024

An expanded carbaporphyrinoid analogue, octaphyrin(2,1,1,1,2,1,1,1), containing two rigid diphenylacetylene moieties is reported. In contrast to traditional pyrrolic macrocycles where flexible conformers coexist in dynamic equilibrium, this macrocycle exists as two separable, conformationally stable stereoisomers, denoted as 1A and 1B. The conformational effect of both conformers, as well as their protonated forms, were thoroughly studied using NMR spectroscopy, UV/Vis, and single crystal X‐ray diffraction analyses. Importantly, heating conformer 1B leads to its irreversible conversion to 1A, whereas in its protonated form, 1A ⋅ 2MSA undergoes irreversible transformation to 1B ⋅ 2MSA at lower temperatures. These temperature‐dependent features establish a foundation for developing new accumulated heat sensors, as demonstrated by the use of the present octaphyrins as a customized thermochromic indicator in steam sterilization. The present study thus underscores how the conformational rigidity of these new polypyrrolic macrocycles imparts properties that are distinct from historically flexible expanded porphyrinoids.
The Chemistry of Metal–Organic Frameworks for Multicomponent Gas Separation
Authors: Yang Lifeng , Zhang Peixin , Cui Jiyu , Cui Xili , Xing Huabin
Published: August 2024

Adsorbents‐based gas separation technologies are regarded as the potential energy‐efficient alternatives towards current thermal‐driven methods, and the study on multi‐component gas separation is essential to deepen our understanding of the adsorbents for practical use. Relative to the ideal two‐component mixtures, both the adsorption behavior and separation mechanisms are obviously more complex in multiple gas mixtures due to their close or even overlapped sizes and properties. The emergence of metal–organic frameworks with controllable pore size and pore chemistry provides the platform for the tailor‐made pore structure to satisfy the harsh requirements of multi‐component gas separation. This minireview highlights the recent advance of multi‐component gas separation using metal–organic frameworks, including multiple impurities removal and selective molecular capture. Combining with the typical cases of hydrocarbon separations (C2, C4, and C8), the detailed discussion about the developed strategies (e.g. self‐adaptive binding sites, multiple binding spaces, synergistic binding sites, synergistic sorbent separation technology, gate‐opening effect, size and thermodynamic combine effect) that are adaptive to different scenarios would be provided. The review will conclude with our perspective on the existing barriers and the future direction of this topic.
Dye Induced Luminescence Properties of Gold(I) Complexes with near Unity Quantum Efficiency
Authors: Naina Vanitha R. , Gillhuber Sebastian , Ritschel Christian , Jin Da , Shubham  , Lebedkin Sergei , Feldmann Claus , Weigend Florian , Kappes Manfred M. , Roesky Peter W.
Published: August 2024

To study the effect of a dye on the photoluminescence (PL) properties of metal complexes, a series of gold(I) complexes were synthesized, containing a 7‐amino‐4‐methylcoumarin luminophore. The complexes are comprised of a coumarin moiety featuring different ancillary ligands, specifically N‐heterocyclic carbenes, triphenylphosphine, and diphenyl‐2‐pyridylphosphine. The synthesized gold(I) complexes are luminescent both in solution and the solid state at room temperature and 77 K. Complexes of different nuclearity, i.e., mono‐, di‐ and trinuclear compounds were synthesized. A clear trend between the nuclearity and the quantum yields can be seen. The coumarin dye not only improves the PL properties, but also enhances the luminescence of trinuclear clusters, which are otherwise known to be weak emitters in solution. The optical absorption properties were investigated in detail by quantum chemical calculations.
A Microsphere Dual‐Ligand MOFs Modified Carbon Paste Electrode and Its Application as Electrochemical Sensor for Bisphenol A and Metal Ions
Authors: Wang Ganghui , Wang Han , Li Huan , Chen Panpan , Guo Hongxu
Published: August 2024

This study introduces a new electrochemical sensor for bisphenol A (BPA) and metal ions utilizing a microsphere dual‐ligand Ni‐based MOFs modified carbon paste. The MOFs (Ni‐bipy‐btc) synthesized from dual‐ligands were prepared via a hydrothermal method and characterized using X‐ray diffraction (XRD), scanning electron microscope (SEM), FT‐IR spectrometer, X‐ray photoelectron spectrum (XPS), and specific surface area test (BET) analysis. The resulting MOFs exhibited promising performance as electrode materials for electrochemical sensors targeting the detection of BPA and heavy metal ions (Pb2+ and Cu2+). The linear range of the MOFs (Ni‐bipy‐btc)/CPE electrode for BPA detection ranged from 0.2 to 150 μM, with a detection limit of 0.045 μM, demonstrating robust immunity and stability. Additionally, the limit of detection for the MOFs (Ni‐bipy‐btc)/CPE electrode was found to be 4.3 and 9.5 nM for Pb2+ and Cu2+ ions, respectively, showcasing excellent stability and reproducibility. This study presents a straightforward approach for the highly sensitive electrochemical detection of BPA and heavy metal ions using a simple hydrothermal reaction method.
Saturated Red Electrophosphorescence From Novel Pyridinopyridazine‐Based Iridium Complexes
Authors: Xiao‐Yu Zhang , Zheng‐Ze Li , Jia‐Hui Xu , Ren Sheng , Bi‐Hai Tong , Ping Chen , Hui Kong
Published: August 2024

Two isomeric homoleptic Ir(III) complexes with pyridinopyridazine derivative ligands were prepared first. Due to its stronger intramolecular hydrogen bonding and intermolecular interactions, complex IrPPM has a higher decomposition temperature (5% weight loss) of 387°C than IrPPP (354°C). They have similar UV–Vis absorption and photoluminescence spectra in CH2Cl2 solution with photoluminescence peaks around 635–636 nm. However, the emission peak of IrPPM in neat powder obviously red‐shifted to 652 nm, and that of IrPPP blue‐shifted to 626 nm. Simultaneously, complex IrPPM has a lower photoluminescence quantum yield of 0.3 than IrPPP (0.5). Efficient saturated red OLED devices are developed with Commission Internationale de L'Eclairage color coordinates of (0.67, 0.32) and (0.66, 0.32), respectively. The maximum external quantum efficiencies of both devices exceed 11%. These results demonstrate the great potential of pyridinopyridazine derivatives for developing new iridium complexes for OLED applications.
Influence of nanosilica and chain extender on the mechanical behavior of poly(lactic acid)/poly(butylene adipate‐co‐terephthalate) blends
Authors: Khonakdar Hanieh , Yazdanbakhsh Amir Hossein , Mousavi Seyed Rasoul , Ahmadi Shervin , Arabi Hasan , Ruckdäschel Holger , Khonakdar Hossein Ali
Published: August 2024

The effect of incorporating different percentages of hydrophobic and hydrophilic nanosilica (HPB and HPL NS) particles and chain extender (CE) on the mechanical behavior of poly(lactic acid)/poly(butylene adipate‐co‐terephthalate) (PLA/PBAT) blends was evaluated. The mechanical behavior of the samples was explained using different theoretical models. Microscopic studies showed that adding both types of NS particles and CE led to more uneven surfaces for blends. Also, no obvious aggregations were observed in both blend nanocomposites, and both kinds of NS particles were mainly present in the PBAT phase. Except for the blend containing 1 phr HPB NS particles, which revealed a continuous morphology, all the PLA/PBAT blends containing both types of NS particles indicated a droplet‐matrix morphology. The more the NS content, the more uniform the PBAT distribution. Adding CE in the blends improved Young's modulus, yield strength, and elongation‐at‐break to a particular loading of CE (2 phr), while these properties were diminished after introducing more CE. Also, the most improvements in the yield strength (45%) and Young's modulus (35%) were seen for the PLA/PBAT (75/25 w/w) containing 2 phr CE and 5 phr HPL NS particles. Besides, a good agreement was observed for experimental values and theoretical models for all samples.
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

In 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

The 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

Survey‐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

In 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

Electrocatalytic 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

Smartphones 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

Objectives

In 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.

Methods

Twenty 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).

Results

Circadian 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).

Conclusions

Circadian 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

Amino 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

Bermudagrass (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 Summary

Chiral 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 Summary

A 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

The 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

Training 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

Introduction

Artificial intelligence (AI) in dermatology is both promising and challenging. This is important for clinicians to recognize most up‐to‐date knowledge and advancements.

Results

Advantages 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.

Conclusion

Despite 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

Polycyclic 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

The 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

Diethyl 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.
Transition‐Metal‐Free Regioselective C−H Arylation of Heteroarenes
Authors: Choudhary Shubhanjali , Yadav Tanisha , Jaleel Jarsha , Sharma Pragati , Jaryal Ritika , Bose Shubahnakar , Kumar Rakesh
Published: August 2024

Regioselectively arylated heteroarenes are privileged scaffolds with remarkable biological and optoelectronic properties. Traditional arylation approaches based on the transition‐metal catalysis present various issues related to the cost of synthesis and environmental sustainability. The growing applications of arylheteroarenes in pharmaceuticals and cutting‐edge technologies have fuelled interest in the development of green and cost‐effective synthetic approaches. This article reports the recent progress in transition‐metal‐free strategies for the regioselective C−H arylation/heteroarylation of heteroarenes. C−H arylations of several five‐ and six‐membered, nitrogen, oxygen and sulphur containing heteroarenes using various arylation/heteroarylation reagents are comprehensively reviewed.
Enhanced‐Performance Electrodes from Biomass‐Derived Carbon (Rice Husk) for Printable Perovskite Solar Cells
Authors: Li Minyu , Sheng Jie , Wu Wenjun
Published: August 2024

In the quest for sustainable energy solutions, printable carbon‐based perovskite solar cells (p‐MPSCs) are capturing the industry's attention due to their exceptional stability, simplified assembly, and cost‐effectiveness. At the heart of this innovation lies the carbon electrode, favored for its straightforward printing and assembly processes, making it an ideal candidate for renewable photovoltaic applications that leverage biomass carbon. This study casts the spotlight on rice husks, a plentiful yet underutilized resource, repurposing them into carbon electrodes for p‐MPSCs through a specialized carbonization treatment. A comprehensive examination reveals that the integration of 20% rice husk carbon (RHC) with graphite significantly improves the material's filling and crystalline qualities, diminishes the density of defect states, and strengthens the suppression of nonradiative recombination. These advancements culminate in a notable increase in photovoltaic conversion efficiency, reaching up to 11.49%. This study not only demonstrates the viability of RHC in photovoltaic applications but also supports the efficient use of biomass carbon, contributing to the progression of green energy technologies.
Experimental investigation of quaternary blends of diesel/hybrid biodiesel/vegetable oil/heptanol as a potential feedstock on performance, combustion, and emission characteristics in a CI engine
Authors: Jayanna Venkatesh Birur , Kulkarni Venkatesh Malhararao , Nanjappa Krishnamurthy Kondarajanahalli , Papanna Sumalatha Chandagalu , Thippeshnaik Ganesha , Gowdru Chandrashekarappa Manjunath Patel , Atamurotov Farruh , Shaik Saboor , Raja Vijayanandh , Alwetaishi Mamdooh , Benti Natei Ermias
Published: August 2024

Hybrid oils ensure multifaceted technological (self‐lubricating and favorable fatty acid properties), and sustainable (environmental, economic, and societal) benefits towards biodiesel conversions. The hybrid oils (Hydnocarpus wightiana oil and waste cooking oils [40:60 v/v]) were synthesized to methyl ester with alkaline catalyst sodium hydroxide through the base‐transesterification process. The resulting hybrid oil methyl ester (HOME) is 96.68%. The crude oil (CO) and its HOME underwent characterization using gas chromatography–mass spectrometry, Fourier transform infrared spectroscopy, and hydrogen‐1 nuclear magnetic resonance spectroscopy. The physicochemical properties of crude oils and hybrid biodiesel were analyzed and compared to pure diesel. Different blends of biodiesel–diesel, including binary (20% HOME + 80% diesel [D]), ternary (60% D + 20% HOME + 20% heptanol [H]), and quaternary (20% HOME + 20% H + 10% CO + 50% D) blends, were tested in a single‐cylinder compression ignition (CI) engine under various load conditions to assess their performance, emissions, and combustion properties. Experimental findings indicate that the addition of heptanol to diesel or hybrid biodiesel (ternary blend) enhances brake thermal efficiency, reduces brake‐specific fuel consumption, and leads to longer ignition delays, resulting in higher internal combustion pressure and thermal energy release rates compared to the quaternary blend. Additionally, compared to pure diesel, the ternary blend exhibits decreased emissions of carbon monoxide (CO) and hydrocarbon (HC), with a slight increase in nitrous oxide (NOx) and carbon dioxide (CO2). Notably, the ternary blend emerges as a distinct alternative biodiesel blend suitable for direct use in CI engines without requiring any engine modifications.
Heavy Metal Contamination in Birds from Protected Regions in the Amazon
Authors: Loera Yeraldi , Gruppi Cristian , Swing Kelly , Campbell-Staton Shane C. , Milá Borja , Smith Thomas B.
Published: August 2024

The extraction of crude oil and gold has substantially increased heavy metal contamination in the environment, yet the study of wildlife exposure and biological response to this pollution remains nascent even in the most biodiverse places in the world. We present a survey of heavy metal exposure in the feathers of wedge-billed woodcreepers (Glyphorynchus spirurus), a resident neotropical bird found within protected regions of the Amazon near oil and gold extraction sites. Our results show elevated heavy metal contamination in samples collected from protected areas proximate to known oil and gold extraction. Surprisingly, several samples from remote reference sites also displayed elevated levels of various heavy metals, suggesting a background of natural deposition or complex heavy metal contamination in the environment from anthropogenic sources. These results highlight the need to understand the ecological and biological impacts of increased heavy metal exposure on wildlife across space and time, including remote regions of the world purportedly untouched by these human-mediated stressors. Toward this goal, historical and contemporary data from native bird populations may provide crucial indicators for heavy metal contamination and exposure in wildlife and human communities. Environ Toxicol Chem 2024;43:2601–2607. © 2024 The Author(s). Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Sensitivity Variations in Developmental Toxicity of Imidacloprid to Zebrafish Embryos at Different Neurodevelopmental Stages
Authors: Xu Zewei , Xie Lingzhi , Li Huizhen , You Jing
Published: August 2024

Neonicotinoids are ubiquitous in global surface waters and pose a significant risk to aquatic organisms. However, information is lacking on the variations in sensitivity of organisms at different developmental stages to the neurotoxic neonicotinoids. We established a spectrum of toxicity to zebrafish embryos at four neurodevelopmental stages (1, 3, 6, and 8 h post fertilization [hpf]) and dechorionated embryos at 6 hpf based on external and internal exposure to imidacloprid as a representative neonicotinoid. Embryos at the gastrula stage (6 and 8 hpf) were more sensitive to imidacloprid than embryos at earlier developmental stages. Dechorionated embryos were more sensitive to imidacloprid than embryos with a chorion, suggesting that the chorion offers protection against pollutants. Nine sublethal effects were induced by imidacloprid exposure, among which uninflated swim bladder (USB) was the most sensitive. Water depth and air availability in the exposure chambers were critical factors influencing the occurrence of USB in zebrafish larvae. Internal residues of metabolites accounted for <10% of imidacloprid, indicating that imidacloprid was metabolized in a limited fashion in the embryos. In addition, acute toxicity of the main metabolite 5-hydroxy-imidacloprid was significantly lower than that of imidacloprid, indicating that the observed toxicity in embryos exposed to imidacloprid was mainly induced by the parent compound. Our research offers a fresh perspective on choosing the initial exposure time in zebrafish embryo toxicity tests, particularly for neurotoxicants. Environ Toxicol Chem 2024;43:2398–2408. © 2024 SETAC

Abstract

Toxicity spectrum of imidacloprid to zebrafish embryos at multiple neurodevelopmental stages. USB = uninflated swim bladder; YSE = yolk sac edema; PE = pericardial edema; JM = jaw malformation; AP = atypical pigmentation; BM = brain malformation; PFM = pectoral fin malformation; LSM = lack of spontaneous movement; LTR = lack of touch response; LR50 = median lethal tissue residue concentration; hpf = hours post fertilization; De = dechorionated.
Antihypertensive and antioxidant effects of food‐derived bioactive peptides in spontaneously hypertensive rats
Authors: Zhou Yuefan , Xu Yixin , Tian Tongguan , Xu Yanping
Published: August 2024

Hypertension significantly impacts the survival and quality of life of animals, often leading to chronic kidney failure. Current clinical drugs used to manage hypertension carry the risk of causing adverse reactions. In contrast, certain natural peptides have demonstrated the ability to safely reduce blood pressure by inhibiting the production of angiotensin. We administered four biologically active peptide solutions to spontaneously hypertensive rats: derived from corn, wheat, egg white, and soybean. The efficacy of these peptides in reducing blood pressure was assessed through regular measurements of systolic pressure. Additionally, we analyzed levels of angiotensin‐converting enzyme and angiotensin 2 using immunohistochemistry and ELISA in vivo. The indicators of oxidative stress and inflammation in hypertensive rats were evaluated using qRT‐PCR and ELISA, respectively. Both wheat (from 182.5 ± 12.26 mmHg at day 0 to 168.86 ± 5.86 mmHg at day 20, p = .0435) and soybean (from 189 ± 2.19 mmHg at day 0 to 178.25 ± 5.14 mmHg at day 20, p = .0017) notably lowered systolic blood pressure compared to their starting systolic blood pressures in spontaneously hypertensive rats. Both wheat and soybean peptides significantly reduced plasma ANG II levels, akin to captopril’s effect. Wheat peptides additionally exhibited antioxidant properties. Only the corn peptide showed a significant increase in transcript levels of the proinflammatory factors IL‐6 and TNF‐α. At the protein level, all four kinds of peptides significantly elevated IL‐6 levels while inhibiting TNF‐α secretion. This study demonstrates that wheat peptides and soybean peptides administered as dietary supplements exhibit significant hypotensive and antioxidant effects.
Forest cover lessens hurricane impacts on peak streamflow
Authors: Hall Jazlynn , Scholl Martha , Shanley James , Matt Serena , Uriarte María
Published: August 2024

Cyclonic storms (i.e., hurricanes) are powerful disturbance events that often cause widespread forest damage. Storm‐related canopy damage reduces rainfall interception and evapotranspiration, but impacts on streamflow regimes are poorly understood. We quantify streamflow changes in Puerto Rico following Hurricane Maria in September 2017, and evaluate whether forest cover and storm‐related canopy damage account for the differences. Streams are particularly vulnerable to flooding in early post‐disturbance stages during hurricane season, so we focus on 3 months (Oct–Dec) following the hurricane. To discern changes in rainfall responses, we partitioned streamflow into baseflow and quickflow using a digital filter. We collected 2010–2017 streamflow and rainfall data from 18 watersheds and compared the relative magnitude of post‐ to pre‐hurricane double mass curve slopes of baseflow and quickflow volumes against rainfall. Several watersheds displayed higher post‐hurricane quickflow and baseflow, however, the response was variable. The magnitude of quickflow increase was greater in watersheds with high forest damage. Under the same level of relative damage, watersheds with low initial forest cover had greater quickflow increases than highly forested ones. Conversely, baseflow generally increased, but increases were greater in highly forested watersheds and smaller in highly damaged watersheds. These results suggest that post‐storm baseflow increases were due to recharge of hurricane‐related rainfall, as well as forest transpiration interruption and soil disturbance enhancing recharge of post‐hurricane rainfall, while increases to quickflow are related to loss of canopy rainfall interception and higher soil saturation decreasing infiltration. Our research demonstrates that forest damage from disturbance lowers quickflow and elevates baseflow in highly forested watersheds, and elevates quickflow and lowers baseflow in less‐forested watersheds. Less‐forested watersheds may be closer to the forest cover loss threshold needed to elicit a streamflow response following disturbance, suggesting higher flooding potential downstream, and a lower storm‐related forest disturbance threshold than in heavily forested watersheds.
What can laboratory studies tell us about potential effects of pesticides on nontarget arthropods populations and communities in the field?
Authors: Thompson Helen , Elston Charlotte
Published: August 2024

Over the past decades, concern has been increasing over reported declines in aboveground biodiversity on farmland. In many regions, data on the toxicity of pesticides to honeybees (Apis mellifera), but not wider nontarget arthropod (NTA) data, are required for pesticide registration. In Europe, the effects of pesticides on NTAs and honeybees have been the subject of regulatory risk assessment for more than 30 years, resulting in a large database. Although insecticides may be expected to affect NTA populations, solely identifying insecticidal modes of action for further NTA testing would result in redundancy among low-risk testing products and may also exclude other modes of action with potential effects in the field. This study assessed whether the honeybee acute risk assessment could provide any indication of the potential impact and recovery time of NTAs in cropped areas at the field scale and, if so, how it might be used in a tiered testing approach. The hazard quotients (HQs; foliar application rate/LR50) were derived for 151 active substances (32% insecticides, 28% fungicides, 38% herbicides, 2% plant growth regulators) for which toxicity data for established EU Tier 1 NTA indicator species (Typhlodromus pyri, Aphidius rhopalosiphi) and application rate data were available. These HQs were compared with published NTA HQ thresholds indicating the time to recovery of NTA populations and communities in field studies (>1 to >12 months). Using the same application rate data, honeybee acute risk quotient (RQ) and HQ were also determined and compared with NTA HQs and honeybee regulatory thresholds. These comparisons demonstrated that, where required, the current regulatory honeybee acute RQ of 0.4 or honeybee HQ of 50 can provide an efficient screening tier to target NTA testing at those products and uses with potential effects in the field where recovery may exceed 12 months. Integr Environ Assess Manag 2024;20:2326–2333. © 2024 SETAC

Key Points

Comparison of the 151 nontarget arthropod (NTA) hazard quotients (HQs) with the honeybee acute risk quotients (RQs) and HQs revealed that the current honeybee thresholds (RQ 0.4 or HQ 50) can provide an efficient screening tier to target any NTA testing at those product and use rates with potential effects in the field where recovery may exceed 12 months. Such an approach is also applicable with mixture products and off-crop, with the relevance of the NTA HQ thresholds potentially being more widely addressed by assessing whether taxa identified in EU field studies encompass the traits of taxa within a region or of a particular species of interest.
Taxonomische Studien in der Gattung Xerula R. MRE. (XI)
Authors: Dörfelt Heinrich
Published: August 2024

Eine als ”Oudemansiella longipes (St. Amans) Moser var. americana Mitchel, et Smith“ (Synonym für Xerula americana Dörfelt) angelegte Kultur eines Isolates von Canada (Manitoba) stimmt in ihren Fruchtkörpern nicht vollkommen mit Xerula americana überein. Die Sporen sind wesentlich kleiner, die Cystiden im Gegensatz zu Xerula americana an der Schneide der Lamellen konzentriert. Möglicherweise handelt es sich um eine unbeschriebene Xerula‐Art. Eine ostasiatische Probe von ”Oudemansiella longipes (St. Amans) Moser” erwies sich als gut charakterisierte selbständige Art der sect. Hyalosetae. Sie wird als Xerula hongoi neu beschrieben.
Beitrag zur Kenntnis der Moosflora der Mongolischen Volksrepublik. II1)
Authors: Grolle Riclef , Meinunger Ludwig , Hilbig Werner , Huneck Siegfried
Published: August 2024

In der vorliegenden Arbeit werden Fundorte von 14 Lebermoosen und 29 Laubmoosen ans der Mongolischen Volksrepublik mitgeteilt. Frullania muscicola und Plagiochasma japonicum werden erstmalig für die MVR nachgewiesen. Alle Angaben von Frullania dilata aus der MVR sind vermutlich unzutreffend.