bluuebunny/crossref_metadata_2025_split huggingface dataset:
Probing the Lewis Acidity of Boronic Acids through Interactions with Arene Substituents
Authors: Jian Jie , Hammink Roel , McKenzie Christine J. , Bickelhaupt F. Matthias , Poater Jordi , Mecinović Jasmin 
Published: December 2021

AbstractBoronic acids are Lewis acids that exist in equilibrium with boronate forms in aqueous solution. Here we experimentally and computationally investigated the Lewis acidity of 2,6‐diarylphenylboronic acids; specially designed phenylboronic acids that possess two flanking aromatic rings with tunable aromatic character. Hammett analysis of 2,6‐diarylphenylboronic acids reveals that their Lewis acidity remains unchanged upon the introduction of EWG/EDG at the distant para position of the flanking aromatic rings. Structural and computational studies demonstrate that polar‐π interactions and solvation effects contribute to the stabilization of boronic acids and boronate forms by aromatic rings. Our physical‐organic chemistry work highlights that boronic acids and boronates can be stabilized by aromatic systems, leading to an important molecular knowledge for rational design and development of boronic acid‐based catalysts and inhibitors of biomedically important proteins.
Effusion fluid cytology and COVID‐19 infection
Authors: Xia Rong , Hsu Lin Lawrence , Sun Wei , Moreira Andre L. , Simsir Aylin , Brandler Tamar C. 
Published: December 2021

BackgroundSevere acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), which is responsible for coronavirus disease 2019 (COVID‐19), is known to cause severe respiratory infections with occasional accompanying pleural effusion (PE), pericardial effusion (PCE), or peritoneal effusion (PTE). The effect of COVID‐19 on effusion cytology is not yet known. This study aimed to examine the cytomorphologic features and workup of effusion fluids in patients with active COVID‐19 infection versus those in recovery.MethodsPE (n = 15), PCE (n = 1), and PTE samples (n = 20) from hospitalized patients with a SARS‐CoV‐2 infection (from June 1, 2020, to December 30, 2020) were reviewed. Effusion fluids with metastatic carcinoma were excluded. Differential cell counts, cytomorphology, and relevant immunostains for effusion fluids were retrospectively evaluated and compared between patients with active infection (positive on a SARS‐CoV‐2 nucleic acid amplification test [NAAT] within 2 months; n = 23) and those in the recovery phase from COVID‐19 (negative on a SARS‐CoV‐2 NAAT for >2 months; n = 13).ResultsThe cytology diagnoses were negative for malignancy (n = 31), atypical (n = 4), and suspicious for malignancy (n = 1). Active infection cases showed more atypical mesothelial cells than recovery cases (P < .05); some had enlarged nuclei, prominent nucleoli, occasional multinucleation, and bizarre nuclei. Immunostains were performed more often in active infection cases than recovery cases (47.8% vs 7.7%; P < .05). Differential cell counts (available for 28 cases) showed no significant differences between the active infection and recovery groups.ConclusionsThis study found atypical and bizarre mesothelial cells more often in effusions of cases with active COVID‐19 infection in comparison with patients in recovery. It is important for cytopathologists to become familiar with the cytomorphologic effects of SARS‐CoV‐2 on effusion cytology so that these cases can be properly triaged.
A multi‐objective approach for local path planning of autonomous mobile robot based on metaheuristics
Authors: Pattnaik Sanat K. , Panda Sumanta , Mishra Debadutta 
Published: December 2021

AbstractThe traditional methods of mobile robot (MR) path planning very often fail in finding the optimal path in a cluttered, complex, and unknown environment. Therefore, in this article, a novel constrained multi‐objective function involving route length, smoothness of the path, and path safety is formulated for a disc‐shaped MR integrated with sensors. The imposed constraints to the problem are the size of the robot and the collision‐free path. A new population‐based algorithm called the chemical reaction optimization algorithm is used to solve the path planning problem. The results obtained through the proposed controller are compared with the results of other methods available in the literature. To demonstrate the effectiveness and usefulness of the proposed algorithm in finding the solution to the path planning problem, statistically significant tests, that is, the coefficient of variation analysis and Friedman's test are conducted. It is observed that the proposed method outperforms the state‐of‐the‐art methods in terms of route length, path smoothness, average sensing, and planning time, and time is taken to reach the goal.
σ‐Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen‐Bonded Supramolecular Polymers
Authors: de Azevedo Santos Lucas , Cesario Diego , Vermeeren Pascal , van der Lubbe Stephanie C. C. , Nunzi Francesca , Fonseca Guerra Célia 
Published: December 2021

AbstractInvited for this month's cover are collaborators from the TheoCheM group of the Vrije Universiteit Amsterdam and the University of Perugia. The cover picture shows a σ‐electron traveling through a hydrogen‐bonded squaramide linear chain. The charge transfer within the σ‐electronic system is the cause for the cooperativity in the investigated urea, deltamide, and squaramide polymers. More information can be found in the Full Paper by Célia Fonseca Guerra, and co‐workers.
In‐Situ Generated CsPbBr3 Nanocrystals on O‐Defective WO3 for Photocatalytic CO2 Reduction
Authors: Jiang Xinyan , Ding Yunxuan , Zheng Song , Ye Yinglin , Li Zhengquan , Xu Liyun , Wang Jin , Li Zibiao , Loh Xian Jun , Ye Enyi , Sun Licheng 
Published: December 2021

AbstractMetal halide perovskite (MHP) nanocrystals (NCs) have shown promising application in photocatalytic CO2 reduction, but their activities are still largely restrained by severe charge recombination and narrow solar spectrum response. Assembly of heterojunctions can be beneficial to the charge separation in MHPs while the assembly process usually brings native interfacial defects, impeding efficient charge separation between two materials. Herein, an in‐situ generation strategy was developed to prepare CsPbBr3/WO3 heterojunction, using WO3 nanosheets (NSs) as growing substrate for the growth of CsPbBr3 NCs. The developed CsPbBr3/WO3 heterojunction exhibited a high‐quality interface, greatly facilitating charge transfer between two semiconductors. The hybrid photocatalyst displayed an excellent activity toward CO2 reduction, which was about 7‐fold higher than pristine CsPbBr3 NCs and 3.5‐fold higher than their assembled counterparts. The experimental results and theoretical simulations revealed that a Z‐scheme mechanism with a favorable internal electric field was responsible for the good performance of CsPbBr3/WO3 heterojunction. By using O‐defective WO3 NSs as a near‐infrared (NIR) light absorber, the CsPbBr3/WO3 heterojunction could harvest NIR light and showed an impressive activity toward CO2 reduction. This work demonstrates a new strategy to design MHP‐based heterojunctions by synergistically considering the interface quality, charge transfer mode, interfacial electric field, and light response range between two semiconductors.
Exploitation of Structure‐Property Relationships towards Multi‐Dimensional Applications of a Paddle‐Wheel Cu(II) Compound
Authors: Dutta Basudeb , Pal Baishakhi , Dey Sunanda , Maity Suvendu , Ray Partha Pratim , Mir Mohammad Hedayetullah 
Published: December 2021

AbstractThe systematic understanding of structure‐property correlations of coordination compounds can be utilized for their potential applications. To rationalize this concept, a mixed ligand based Cu(II) compound [Cu2(nac)4(4‐nvp)2] (1) (Hnac=3‐(1‐naphthyl)acrylic acid and 4‐nvp=4‐(1‐naphthylvinyl)pyridine) has been synthesized and single crystal is obtained by the simple layering technique. Compound 1 has fascinating paddle wheel structure which undergoes weak C−H⋅⋅⋅π interactions to generate a three‐dimensional (3D) supramolecular aggregate. An electrical analysis, i. e. current‐voltage (I–V) measurement of this material, exhibited rectifying behavior in the forward bias, which affirms the formation of a Schottky diode. Impedance spectroscopy (IS) analysis has also been performed to get insight into the diode application. Besides, the fluorescence emission of 1 is quenched by 2,4,6‐trinitrophenol (TNP) and 2,4‐dinitrophenol (DNP), among other nitroaromatics, and the maximum quenching efficiency is observed for TNP (98 %). The limits of detection (LOD) are determined by following 3σ methods and are found to be 0.77 μM (TNP), and 0.85 μM (DNP). Interestingly, compound 1 also exhibits biomimetic catechol oxidase‐like activity for the oxidation of catechol to quinone. Therefore, the synthesized compound can be considered as a promising candidate for multi‐functional applications in material science.
Effects of different environmental and operational factors on the PV performance: A comprehensive review
Authors: Hasan Khaled , Yousuf Sumaiya Binty , Tushar Mohammad Shahed Hasan Khan , Das Barun K. , Das Pronob , Islam Md. Saiful 
Published: December 2021

AbstractConventional fossil fuel‐based power generation is one of the main contributors to global environmental pollutions. The rapid depletion of fossil fuel reserves as well as their adverse environmental impact heighten the quest for cleaner and sustainable energy resources to generate electricity. Solar energy is an unlimited and immeasurable source of renewable energy that is used for direct electricity production through the solar PV cell. However, environmental conditions as well as operation and maintenance of the solar PV cell affect the optimum output and substantially impact the energy conversion efficiency, productivity and lifetime, thus affect the economy of power generation. In this study, an investigation about recent works regarding the effect of environmental and operational factors on the performance of solar PV cell is presented. It is found that dust allocation and soiling effect are crucial, along with the humidity and temperature that largely affect the performance of PV module. Additionally, the wind itself carries a significant amount of dust and sand particles, especially in the deserted areas. Deposition of dust in humid conditions forms adhesive, sticky mud on the PV cell and worsens the situation as it reduces the power generation up to 60–70%. This study discusses advanced approaches to mitigate the effects of these factors with their relative merits and challenges. Finally, a guideline is proposed to minimize the effect of different environmental and operational factors to optimize the performance of solar PV cell.
Asynchronized erosion effects due to climate and human activities on the central Chinese Loess Plateau during the Anthropocene and its implications for future soil and water management
Authors: Wang Xiaqing , Liu Fenggui , Zhang Xinbao , Tang Xiangling , Xu Jianwei , Huang Ping'an , Wang Yutang , Jin Zhangdong 
Published: December 2021

AbstractVariations and regional differences in land surface processes during the Anthropocene have directly impacted local economic development and social stability. Nevertheless, little is known about the historical erosion effects and human–environment interactions at annual and decadal scales on the central Chinese Loess Plateau (CLP) over the past 200 years, when human activities and annual sediment discharge both reached historical peaks. Located in the northcentral hilly–gully and southcentral plateau–gully regions, respectively, the Jingbian and Heshui landslide‐dammed reservoirs were ideal settings to reconstruct the erosion flux and precipitation over A.D. 1850–2000 due to vertical stacking of interannual couplets. During this period, the mean annual specific sediment yield reached 1.17 × 104 t/(km2 a) in the Jingbian catchment (precipitation threshold of 30 mm), while it reached 1.13 × 104 t/(km2 a) in the Heshui catchment (precipitation threshold of 40 mm) according to sediment yield with frustum and extrapolation of historical precipitation. Interannual El Niño–Southern Oscillation (ENSO) events were deemed a primary climatic factor inducing soil erosion over the central CLP. This should remind decision‐makers that it is necessary to prevent large‐scale floods and severe erosion before future ENSO events. Changes in population, policies, and human activities also affected land surface processes on the central CLP during 1850–2000. In addition, the results revealed that abandoned farmlands in the southcentral regions with 600 mm and more precipitation had a strong ecological resilience, while this was weak in the northcentral drier region. These findings imply that future ecological restoration of the central CLP should consider the ecological resilience of farmlands that have been recently abandoned due to urbanization. These novel results provide new insights into regional soil and water management under China's development agenda of ‘Ecological Conservation and High‐quality Development of the Yellow River Basin’.
Transcriptional regulatory networks of the proteasome in mammalian systems
Authors: Kapetanou Marianna , Athanasopoulou Sophia , Gonos Efstathios S. 
Published: December 2021

AbstractThe tight regulation of proteostasis is essential for physiological cellular function. Mammalian cells possess a network of mechanisms that ensure proteome integrity under normal or stress conditions. The proteasome, being the major cellular proteolytic machinery, is central to proteostasis maintenance in response to distinct intracellular and extracellular conditions. The proteasomes are multisubunit protease complexes that selectively catalyze the degradation of short‐lived regulatory proteins and damaged peptides. Different forms of the proteasome complexes comprising of different subunits and attached regulators directly affect the substrate selectivity and degradation. Thus, the proteasome participates in the turnover of a multitude of factors that control key processes that affect the cellular state, such as adaptation to environmental cues, growth, development, metabolism, signaling, senescence, pluripotency, differentiation, and immunity. Aberrations on its function are related to normal processes like aging and pathological conditions such as neurodegeneration and cancer. The past few years of research have highlighted that proteasome abundance, activity, assembly, and localization are subject to a dynamic transcriptional control that secures the continuous adaptation of the proteasome to internal or external stimuli. This review focuses on the factors and signaling pathways that are involved in the regulation of the mammalian proteasome at the transcriptional level. A comprehensive understanding of proteasome regulation has critical implications on disease prevention and treatment.
Short Cyclic Regimen With Parathyroid Hormone (PTH) Results in Prolonged Anabolic Effect Relative to Continuous Treatment Followed by Discontinuation in Ovariectomized Rats
Authors: Tseng Wei-Ju , Lee Wonsae , Zhao Hongbo , Liu Yang , Wang Wenzheng , de Bakker Chantal MJ , Li Yihan , Osuna Carlos , Tong Wei , Wang Luqiang , Ma Xiaoyuan , Qin Ling , Liu X Sherry 
Published: December 2021

Abstract
Despite the potent effect of intermittent parathyroid hormone (PTH) treatment on promoting new bone formation, bone mineral density (BMD) rapidly decreases upon discontinuation of PTH administration. To uncover the mechanisms behind this adverse phenomenon, we investigated the immediate responses in bone microstructure and bone cell activities to PTH treatment withdrawal and the associated long-term consequences. Unexpectedly, intact female and estrogen-deficient female rats had distinct responses to the discontinuation of PTH treatment. Significant tibial bone loss and bone microarchitecture deterioration occurred in estrogen-deficient rats, with the treatment benefits of PTH completely lost 9 weeks after discontinuation. In contrast, no adverse effect was observed in intact rats, with sustained treatment benefit 9 weeks after discontinuation. Intriguingly, there is an extended anabolic period during the first week of treatment withdrawal in estrogen-deficient rats, during which no significant change occurred in the number of osteoclasts, whereas the number of osteoblasts remained elevated compared with vehicle-treated rats. However, increases in number of osteoclasts and decreases in number of osteoblasts occurred 2 weeks after discontinuation of PTH treatment, leading to significant reduction in bone mass and bone microarchitecture. To leverage the extended anabolic period upon early withdrawal from PTH, a cyclic administration regimen with repeated cycles of on and off PTH treatment was explored. We demonstrated that the cyclic treatment regimen efficiently alleviated the PTH withdrawal-induced bone loss, improved bone mass, bone microarchitecture, and whole-bone mechanical properties, and extended the treatment duration. © 2021 American Society for Bone and Mineral Research (ASBMR).
Suppression of transient receptor potential melastatin 7 regulates pluripotency, proliferation, and differentiation of mouse embryonic stem cells via mechanistic target of rapamycin‐extracellular signal‐regulated kinase activation
Authors: Kim Wansoo , Park Song , Kwon Wookbong , Kim Daehwan , Park Jin‐Kyu , Han Jee Eun , Cho Gil‐Jae , Han Se‐Hyeon , Sung Yonghun , Yi Jun‐Koo , Kim Myoung Ok , Ryoo Zae Young , Choi Seong‐Kyoon 
Published: December 2021

AbstractMouse embryonic stem cells (mESCs) are a widely used model for their diverse availability in studying early embryonic development and their application in regenerative treatment of various intractable diseases. Transient receptor potential melastatin 7 (Trpm7) regulates Ca2+ as a nonselective ion channel and is essential for early embryonic development; however, the precise role of Trpm7 in mESCs has not been clearly elucidated. In this study, we showed that the inhibition of Trpm7 affects the pluripotency and self‐renewal of mESCs. We found that short hairpin RNA (shRNA)‐mediated suppression of Trpm7 resulted in decreased expression of transcriptional regulators, Oct4 and Sox2, which maintain stemness in mESCs. In addition, Trpm7 knockdown led to alterations in the basic properties of mESCs, such as decreased proliferation, cell cycle arrest at the G0/G1 phase, and increased apoptosis. Furthermore, embryoid body (EB) formation and teratoma formation assays revealed abnormal regulation of differentiation due to Trpm7 knockdown, including the smaller size of EBs, elevated ectodermal differentiation, and diminished endodermal and mesodermal differentiation. We found that EB Day 7 samples displayed decreased intracellular Ca2+ levels compared to those of the scrambled group. Finally, we identified that these alterations induced by Trpm7 knockdown occurred due to decreased phosphorylation of mechanistic target of rapamycin (mTOR) and subsequent activation of extracellular signal‐regulated kinase (ERK) in mESCs. Our findings suggest that Trpm7 could be a novel regulator for maintaining stemness and modulating the differentiation of mESCs.
Signal amplification by electropolymerization of alizarin red S for improved diuron detection at organosmectite modified glassy carbon electrode
Authors: Deffo Gullit , Temgoua Ranil Clément Tonleu , Tajeu Kevin Yemele , Njanja Evangéline , Doungmo Giscard , Tonle Ignas Kenfack , Ngameni Emmanuel 
Published: December 2021

AbstractAn electrochemical sensor was prepared by modification of glassy carbon electrode (GCE) with an organoclay obtained by intercalation of smectite‐type clay Sa(Na) with dimethydioctadecylammonium ions (DODAB) and polymer of alizarin red S (poly[ARS]). The synthesized materials were analyzed by physicochemical and electrochemical techniques. The fabricated sensor GCE/Sa(DODAB)/poly(ARS) was employed toward the detection of diuron and the detection limit was found to be 0.48 μM (0.11 mg/L). Additionally, the elaborated electrochemical sensor was found to exhibit good sensitivity, stability, and reproducibility toward the determination of diuron, and it was applied successfully in real samples.
Composition, activity and diversity of bacterial and fungal communities responses to inputs of phosphorus fertilizer enriched with beneficial microbes in degraded Brunic Arenosol
Authors: Mącik Mateusz , Gryta Agata , Sas‐Paszt Lidia , Frąc Magdalena 
Published: December 2021

AbstractAnthropogenic‐induced deterioration of soil health remains a global problem, resulting in a diminished productivity of agroecosystems. In order to improve soil quality, we investigated the impact of phosphorus biofertilizer on the microbiological parameters of soil (type Brunic Arenosol) degraded as a result of inappropriate cultivation and fertilization, characterized by low pH and decrease in K and Mg content. Two‐year field experiment included control treatment (FC) without microbial enrichment and FA100 (fertilizer amendment at optimal dose) and FA60 (fertilizer amendment at 40% reduced dose) treatments containing beneficial microorganisms. The results showed that the biofertilizer enhanced soil enzymatic activity (as expressed by the increased activities of urease, protease, acid phosphomonoesterase, and β‐glucosidase), increased number of operational taxonomic units associated with metabolic processes (including phosphorus related pathways and degradation of xenobiotics), improved crop yield, increased bacterial diversity, and changed the quantity of phytoavailable phosphorus in the soil. Biofertilizer also stimulated the occurrence of plant growth promoting microorganisms involved in phosphorus biotransformations, decomposition of organic matter, nitrogen fixation, and protection plants against pathogens. Next generation sequencing (NGS) and Biolog analyses showed that the composition of soil microbiome was affected also by soil sampling time, suggesting seasonal variations in the preferred carbon sources and level of C‐substrates utilization, and pointing the differences in the relative abundance of individual microbial groups at particular stages of the experiment. Taking into consideration the improvement of microbiological indicators of soil health, phosphorus biofertilizer seems to be effective approach to implement in sustainable agriculture linking soil microbiome quality with the general soil condition.
Emerging Biopolymer‐Based Bioadhesives
Authors: Li Jinghang , Yu Xin , Martinez Eduardo Enciso , Zhu Jiaqing , Wang Ting , Shi Shengwei , Shin Su Ryon , Hassan Shabir , Guo Chengchen 
Published: December 2021

AbstractBioadhesives have been widely used in healthcare and biomedical applications due to their ease‐of‐operation for wound closure and repair compared to conventional suturing and stapling. However, several challenges remain for developing ideal bioadhesives, such as unsatisfied mechanical properties, non‐tunable biodegradability, and limited biological functions. Considering these concerns, naturally derived biopolymers have been considered good candidates for making bioadhesives owing to their ready availability, facile modification, tunable mechanical properties, and desired biocompatibility and biodegradability. Over the past several years, remarkable progress has been made on biopolymer‐based adhesives, covering topics from novel materials designs and advanced processing to clinical translation. The developed bioadhesives have been applied for diverse applications, including tissue adhesion, hemostasis, antimicrobial, wound repair/tissue regeneration, and skin‐interfaced bioelectronics. Here in this comprehensive review, recent progress on biopolymer‐based bioadhesives is summarized with focuses on clinical translations and multifunctional bioadhesives. Furthermore, challenges and opportunities such as weak adhesion strength at the hydrated state, mechanical mismatch with tissues, and unfavorable immune responses are discussed with an aim to facilitate the future development of high‐performance biopolymer‐based bioadhesives.