bluuebunny/crossref_metadata_2025 huggingface dataset:
Vorhersage der MOF‐Synthese durch automatisches Data‐Mining und maschinelles Lernen**
Authors: Luo Yi , Bag Saientan , Zaremba Orysia , Cierpka Adrian , Andreo Jacopo , Wuttke Stefan , Friederich Pascal , Tsotsalas Manuel
Published: February 2022

Trotz großer Fortschritte auf dem Gebiet der metallorganischen Gerüststrukturen (MOF) ist das volle Potential des Maschinellen Lernens (ML) für die Vorhersage von MOF‐Syntheseparametern bisher noch nicht erschlossen. In diesem Beitrag wird dargestellt, wie Methoden des ML für die Rationalisierung und Beschleunigung von MOF‐Entwicklungsverfahren eingesetzt werden können, indem die Synthesebedingungen der MOFs direkt anhand ihrer Kristallstruktur vorhergesagt werden. Unser Ansatz stützt sich auf: i) die Erstellung der ersten MOF‐Synthese‐Datenbank durch automatische Extraktion der Syntheseparameter aus der Fachliteratur, ii) das Trainieren und die Optimierung von ML‐Modellen mit Daten der MOF‐Datenbank und iii) die ML basierte Vorhersage der Synthesebedingungen neuer MOF‐Strukturen. Schon jetzt übertreffen die Ergebnisse der Vorhersagemodelle die Vorhersagen menschlicher ExpertInnen, welche in einer Befragung ermittelt wurden. Die automatisierte Synthesevorhersage ist über ein Web‐Tool unter https://mof‐synthesis.aimat.science verfügbar.
Asymmetric Total Synthesis of Shizukaol J, Trichloranoid C and Trishizukaol A
Authors: Wang Xiao , Wang Zhuang , Ma Xianjian , Huang Zhengsong , Sun Ke , Gao Xiang , Fu Shaomin , Liu Bo
Published: February 2022

The asymmetric total synthesis of three lindenane sesquiterpenoid oligomers, shizukaol J, trichloranoid C and trishizukaol A, has been accomplished concisely in 15, 16 and 18 longest linear steps, respectively. The expeditious construction of molecular architectures was facilitated by Nelson's catalytic asymmetric ketene–aldehyde cycloaddition, a sequence of allylic alkylation/reduction/acidic cyclization to forge a lactone, and a double aldol condensation cascade to construct the 5/6 bicyclic system. Diastereoselective nucleophilic substitution promoted by a phase transfer catalyst constructed the C11 quaternary stereogenic center, thus prompting synthetic efficacy toward shizukaol J. The synthesis of trichloranoid C and trishizukaol A was achieved after a cascade involving furanyl diene formation and a Diels–Alder reaction, as well as a one‐pot sequence involving furan oxidation and global deprotection. Furthermore, our biological evaluation revealed that two compounds exhibited unexpected toxicity against tumor cell lines.
A Universal Single‐Atom Coating Strategy Based on Tannic Acid Chemistry for Multifunctional Heterogeneous Catalysis
Authors: Wang Haifeng , Li Xiaopeng , Jiang Ying , Li Minhan , Xiao Qi , Zhao Tao , Yang Shuai , Qi Chunhong , Qiu Pengpeng , Yang Jianping , Jiang Zheng , Luo Wei
Published: February 2022

Here, we report a universal single‐atom coating (SAC) strategy by taking advantage of the rich chemistry of tannic acid (TA). TA units not only self‐assemble into a cross‐linked porous polyphenolic framework, but also can grip on different substates via multiple binding modes. Benefiting from the diverse chelating ability of TA, a series of mono‐, and bi‐metallic SACs can be formed on substrates of different materials (e. g., carbon, SiO2, TiO2, MoS2), dimensions (0D–3D) and sizes (50 nm–5 cm). By contrast, uniform SAC cannot be achieved using common approaches such as pyrolysis of metal–dopamine complexes or metal–organic frameworks. As a proof‐of‐concept demonstration, two Co SACs immobilized on graphene and TiO2 were prepared. The former one shows six‐fold higher mass activity than Pt/C toward oxygen reduction. The latter one displays outstanding photocatalytic activity owing to the high activity of the single atoms and the formation of the single‐atom coating–TiO2 heterojunction.
Supported Lanthanum Borohydride Catalyzes CH Borylation Inside Zeolite Micropores
Authors: Li Yuting , Kanbur Uddhav , Cui Jinlei , Wang Guocang , Kobayashi Takeshi , Sadow Aaron D. , Qi Long
Published: February 2022

The zeolite‐supported lanthanide La(BH4)x‐HY30 catalyzes C−H borylation of benzene with pinacolborane (HBpin), providing a complementary approach to precious, late transition metal‐catalyzed borylations. The reactive catalytic species are generated from La grafted at the Brønsted acid sites (BAS) in micropores of the zeolite, whereas silanoate‐ and aluminoate‐grafted sites are inactive under the reaction conditions. During typical catalytic borylations, conversion to phenyl pinacolborane (PhBpin) is zero‐order in HBpin concentration. A turnover number (TON) of 167 is accessed by capping external silanols, selectively grafting at BAS sites, and adding HBpin slowly to the reaction.
Advancing the Development of Recyclable Aromatic Polyesters by Functionalization and Stereocomplexation
Authors: Fan Hua‐Zhong , Yang Xing , Chen Jia‐Hao , Tu Yi‐Min , Cai Zhongzheng , Zhu Jian‐Bo
Published: February 2022

The development of innovative synthetic polymer systems to overcome the trade‐offs between the polymer's depolymerizability and performance properties is in high demand for advanced material applications and sustainable development. In this contribution, we prepared a class of aromatic cyclic esters (M1–M5) from thiosalicylic acid and epoxides by facile one‐pot synthesis. Ring‐opening polymerization of Ms afforded aromatic polyesters P(M)s with high molecular weights and narrow dispersities. The physical and mechanical properties of P(M)s can be modulated by stereocomplexation and regulation of the side‐chain flexibility of the polymers, ultimately achieving high‐performance properties such as high thermal stability and crystallinity (Tm up to 209 °C), as well as polyolefin‐like high mechanical strength, ductility, and toughness. Furthermore, the functionalizable moieties of P(M)s have driven a wide array of post‐polymerization modifications toward access to value‐added materials. More importantly, the P(M)s were able to selectively depolymerize into monomers in excellent yields, thus establishing its circular life cycle.
A simple synthetic entryway into (N‐heterocyclic carbene)gold‐steroidyl complexes and their anticancer activity
Authors: Scattolin Thomas , Lippmann Petra , Beliš Marek , van Hecke Kristof , Ott Ingo , Nolan Steven P.
Published: February 2022

A straightforward synthetic route to new N‐heterocyclic carbene (NHC)‐gold‐steroidyl complexes is reported. The desired complexes were obtained using a weak base (such as K2CO3) through a concerted‐metallation‐deprotonation (CMD) reaction mechanism occurring between [Au(NHC)Cl] and ethisterone as a model steroid‐based alkyne. Most complexes displayed good cytotoxicity against a panel of cancer cell lines with IC50 values in the low micromolar range. Cellular uptake of the most active complex 2a into MCF‐7 breast cancer cells was facilitated by the coordinated ethisterone ligand.
Facile preparation of transparent poly (γ‐glutamic acid) modified poly (vinyl alcohol) hydrogels with high tensile strength and toughness
Authors: Wu Hailin , Chen Jing , Kim Jiyoung , Zhu Peizhi , Zhu Jiadeng , Gao Qiang , Gao Chunxia
Published: February 2022

In the present work, a transparent poly (γ‐glutamic acid) modified polyvinyl alcohol (γ‐PGA/PVA) hydrogel with excellent tensile strength and toughness was prepared by a simple and effective immersion method. Results revealed that γ‐PGA concentration and immersion time have great influence on the mechanical properties of prepared γ‐PGA/PVA hydrogels. The mechanical tensile strength of γ‐PGA/PVA hydrogel reached to 16.68 ± 0.43 MPa with the strain of 511.64% ± 23.38% when prepared PVA hydrogel was immersed in 20% γ‐PGA solution for 24 h (denoted as 20% γ‐PGA/PVA). Meanwhile, 20% γ‐PGA/PVA hydrogel exhibited excellent mechanical properties, such as high‐level torsion, knotting and puncture resistant, and can lift a 5 kg weight without obvious rupture. The morphology, structure, compositions and mechanism of enhanced mechanical properties were investigated. Besides the excellent mechanical properties, 20% γ‐PGA/PVA hydrogel possessed good conductivity as well as high sensitivity to external strain. Furthermore, in vitro good cytocompatibility of 20% γ‐PGA/PVA hydrogels was demonstrated by using MC3T3‐E1 cells. Therefore, the prepared 20% γ‐PGA/PVA hydrogel may provide the possibility for the applications in the field of cartilage repair/regeneration, artificial skin and human motion sensor.
Sex differences in automatic emotion regulation in adolescents with autism spectrum disorder
Authors: Key Alexandra P. , Jones Dorita , Corbett Blythe A.
Published: February 2022

Autism may be underdiagnosed in females because their social difficulties are often less noticeable. This study explored sex differences in automatic facial emotion processing in 45 adolescents with autism spectrum disorder (22 female, 23 male), age 10–16 years, performing active target detection task and Go/NoGo tasks where faces with positive and negative emotional expressions served as irrelevant distractors. The combined sample demonstrated more accurate performance on the target detection (response initiation) than the Go/NoGo task (response inhibition), replicating findings previously reported in typical participants. Females exhibited greater difficulty than males with response initiation in the target detection task, especially in the context of angry faces, while males found withholding a response in the Go/NoGo block with happy faces more challenging. Electrophysiological data revealed no sex differences or emotion discrimination effects during the early perceptual processing of faces indexed by the occipitotemporal N170. Autistic males demonstrated increased frontal N2 and parietal P3 amplitudes compared to females, suggesting greater neural resource allocation to automatic emotion regulation processes. The associations between standardized behavioral measures (autism severity, theory of mind skills) and brain responses also varied by sex: more adaptive social functioning was related to the speed of perceptual processing (N170 latency) in females and the extent of deliberate attention allocation (P3 amplitudes) in males. Together, these findings suggest that males and females with autism may rely on different strategies for social functioning and highlight the importance of considering sex differences in autism.

Lay Summary

Females with autism may exhibit less noticeable social difficulties than males. This study demonstrates that autistic females are more successful than males at inhibiting behavioral responses in emotional contexts, while males are more likely to initiate a response. At the neural level, social functioning in females is related to the speed of automatic perceptual processing of facial cues, and in males, to the extent of active attention allocation to the stimuli. These findings highlight the importance of considering sex differences in autism diagnosis and treatment selection.
Validierung eines Polyurethan‐basierten Aerogels im Realbetrieb
Authors: Stelzmann Mario , Kirschke Marcus , Fricke Marc , Tietze Matthias , Kahnt Alexander
Published: February 2022

Mit steigenden Anforderungen an die Energieeffizienz von Gebäuden werden immer leistungsfähigere Dämmstoffe entwickelt. Die Technologie der Aerogele erreicht dabei besonders niedrige Wärmeleitfähigkeiten aufgrund ihrer Porengrößen im Nanometerbereich. Während sich Aerogele prinzipiell aus verschiedenen Ausgangsstoffen herstellen lassen, wird in diesem Artikel das Verhalten eines Aerogels auf Basis von Polyurethan unter realen Bedingungen untersucht. Der Einbau des Aerogels erfolgte in einem Wandelement, in der Dachterrasse und in Fensteranschlüssen eines Gebäudes. Auf Basis von Messdaten eines einjährigen Monitorings wurden die verschiedenen Anwendungen in hygrothermischen Simulationsmodellen validiert.
Toward better assessments of developmental toxicity using stem cell‐based in vitro embryogenesis models
Authors: Marikawa Yusuke
Published: February 2022

In the past few decades, pluripotent stem cells have been explored as nonanimal alternatives to assess the developmental toxicity of chemicals. To date, numerous versions of stem cell‐based assays have been reported that are allegedly effective. Nonetheless, none of the assays has become the gold standard in developmental toxicity assessment. Why? This article discusses several issues in the hope of facilitating the refinement of stem cell assays and their acceptance as the cornerstone in predictive developmental toxicology. Each stem cell assay is built on a limited representation of embryogenesis, so that multiple assays are needed to detect the diverse effects of various chemicals. To validate and compare the strengths and weaknesses of individual assays, standardized lists of reference chemicals should be established. Reference lists should consist of exposures defined by toxicokinetic data, namely maternal plasma concentrations that cause embryonic death or malformations, and also by the effects on the molecular machineries that control embryogenesis. Although not entirely replacing human or animal tests, carefully selected stem cell assays should serve as practical and ethical alternatives to proactively identify chemical exposures that disturb embryogenesis. To achieve this goal, unprecedented levels of coordination and conviction are required among research and regulatory communities.
What is the evidence on the impact of Pupil Premium funding on school intakes and attainment by age 16 in England?
Authors: Gorard Stephen
Published: February 2022

The use of targeted additional funding for school‐age education, intended to improve student attainment, is a widespread phenomenon internationally. It is slightly rarer that the funding is used to improve attainment specifically for the most disadvantaged students – often via trying to attract teachers to poorer areas, or encouraging families to send their children to school. It is even rarer that funding is used to try and reduce the attainment gap between economically disadvantaged students and their peers, and almost unheard for the funding to be intended to change the nature of school intakes by making disadvantaged students more attractive to schools. These last two were the objectives set for Pupil Premium funding to schools in England. The funding started in 2011, for all state‐funded schools at the same time, so there is no easy counterfactual to help assess how effective it has been. The funding is a considerable investment every year and it is therefore important to know whether it works as intended. This paper presents a time series analysis of all students at secondary school in England from 2006, well before the funding started, until 2019, the most recent year for which there are attainment figures. It overcomes concerns that the official attainment gap between students labelled disadvantaged and the rest is sensitive to demographic, economic, legal and other concurrent policy changes. It does this by looking at a stable group of long‐term disadvantaged students. It is argued that this group would have attracted Pupil Premium funding if it had existed in any year and under any economic conditions. After 2010, these long‐term disadvantaged pupils became substantially less clustered in specific schools in their first year and throughout their remaining school life. This improvement cannot be explained by economic or other factors used in this paper, and so it looks as though the Pupil Premium has been effective here. The picture for the attainment gap at age 16 is more mixed. It is partly confused by changes in the grading of assessments in 2014 and again from 2016. The reasons why the improvements are less clear than at primary school are discussed, and they involve the nature of evidence available to secondary schools to help them improve the attainment of their most disadvantaged students.
A comparison of continuous, dense, and lean schedules of noncontingent access to matched competing stimuli to reduce stereotypy
Authors: Llinas Mary , Wilder David A. , Walz Ryan
Published: February 2022

Noncontingent or response‐independent access to matched, competing stimuli has been shown to be effective to decrease automatically maintained challenging behavior. Despite research on its effectiveness, various schedules of noncontingent access to matched competing stimuli have not been directly compared. The purpose of the current study was to compare the effectiveness of and preference for continuous, dense (fixed‐time 30 s), and lean (fixed‐time 60 s) schedules of noncontingent access to matched competing stimuli to decrease automatically maintained stereotypy exhibited by two children with autism. We also conducted a within session analysis of the lean condition to examine possible mechanisms responsible for the effects of the procedure. The results showed that the continuous schedule was most effective and most preferred to reduce stereotypy for both participants. A social validity measure indicated that the participant's caregivers approved of and preferred the continuous schedule.
Telomerase‐based therapies in haematological malignancies
Authors: Rafat Ali , Dizaji Asl Khadijeh , Mazloumi Zeinab , Movassaghpour Ali Akbar , Farahzadi Raheleh , Nejati Babak , Nozad Charoudeh Hojjatollah
Published: February 2022

Telomeres are specialized genetic structures present at the end of all eukaryotic linear chromosomes. They progressively get shortened after each cell division due to end replication problems. Telomere shortening (TS) and chromosomal instability cause apoptosis and massive cell death. Following oncogene activation and inactivation of tumour suppressor genes, cells acquire mechanisms such as telomerase expression and alternative lengthening of telomeres to maintain telomere length (TL) and prevent initiation of cellular senescence or apoptosis. Significant TS, telomerase activation and alteration in expression of telomere‐associated proteins are frequent features of different haematological malignancies that reflect on the progression, response to therapy and recurrence of these diseases. Telomerase is a ribonucleoprotein enzyme that has a pivotal role in maintaining the TL. However, telomerase activity in most somatic cells is insufficient to prevent TS. In 85‐90% of tumour cells, the critically short telomeric length is maintained by telomerase activation. Thus, overexpression of telomerase in most tumour cells is a potential target for cancer therapy. In this review, alteration of telomeres, telomerase and telomere‐associated proteins in different haematological malignancies and related telomerase‐based therapies are discussed.
Two‐dimensional projection uniformity for space‐filling designs
Authors: Liu Sixu , Wang Yaping , Sun Fasheng
Published: February 2022

We investigate a space‐filling criterion based on ‐type discrepancies, namely the uniform projection criterion, aiming at improving designs' two‐dimensional projection uniformity. Under a general reproducing kernel, we establish a formula for the uniform projection criterion function, which builds a connection between rows and columns of the design. For the commonly used discrepancies, we further use this formula to represent the two‐dimensional projection uniformity in terms of the ‐distances of U‐type designs. These results generalize existing works and reveal new links between the two seemingly unrelated criteria of projection uniformity and the maximin ‐distance for U‐type designs. We also apply the obtained results to study several families of space‐filling designs with appealing projection uniformity. Because of good projected space‐filling properties, these designs are well adapted for computer experiments, especially for the case where not all the input factors are active.
Regression analysis of multivariate current status data under a varying coefficients additive hazards frailty model
Authors: Feng Yanqin , Prasangika K. D. , Zuo Guoxin
Published: February 2022

This article discusses regression analysis of multivariate current status failure time data for which the observation time may be related to the underlying survival time. A local partial likelihood technique is used to estimate the varying coefficient covariate effect functions under the additive hazards frailty model. The asymptotic properties of the proposed estimators are established. An extensive simulation study is conducted for the evaluation of the proposed procedure, the results of which indicate that the proposed method works well in practice. Also, a real data study is provided to illustrate the performance of the proposed method.
A Solvent‐free Strategy to Prepare Amorphous Salts of Folic Acid with Enhanced Solubility and Cell Permeability
Authors: Martins Inês C. B. , Forte Andreia , Diogo Hermínio P. , Raposo Luís R. , Baptista Pedro V. , Fernandes Alexandra R. , Branco Luís C. , Duarte M. Teresa
Published: February 2022

Eight new amorphous organic salts of folic acid (FA) were prepared by mechanochemistry. FA can prevent cardiovascular and neurological diseases. Mechanochemistry overcomes serious FA solubility issues avoiding the use of toxic solvents. Due to low FA solubility, therapeutic effects in supplements and drugs are not achieved. Current strategies to improve FA solubility include its derivatization by using complex synthetic procedures. Herein, a simple and green procedure, avoiding structural modifications, was designed using mechanochemistry. Biocompatible amine‐derivative coformers were strategically combined with FA to obtain salts with good physicochemical properties. New 1 : 1 and 1 : 2 amorphous FA salts offer 10 to 10,000 times better aqueous solubility and 10 to 100 times better octanol‐water partition coefficient values (Koctanol/water) than FA alone. Koctanol/water is considered as a surrogate of cell permeability. No toxic effects in normal human primary dermal fibroblasts were detected for the prepared FA salts. Our findings suggest that 1 : 2 FA salts of choline hydroxide and derivatives could be good candidates for future pharmaceutical/nutraceutical applications.
Bond Length Alternation and Internal Dynamics in Model Aromatic Substituents of Lignin
Authors: Hernandez‐Castillo A. O. , Calabrese Camilla , Fritz Sean M. , Uriarte Iciar , Cocinero Emilio J. , Zwier Timothy S.
Published: February 2022

Broadband microwave spectra were recorded over the 2‐18 GHz frequency range for a series of four model aromatic components of lignin; namely, guaiacol (ortho‐methoxy phenol, G), syringol (2,6‐dimethoxy phenol, S), 4‐methyl guaiacol (MG), and 4‐vinyl guaiacol (VG), under jet‐cooled conditions in the gas phase. Using a combination of 13C isotopic data and electronic structure calculations, distortions of the phenyl ring by the substituents on the ring are identified. In all four molecules, the rC(1)‐C(6) bond between the two substituted C‐atoms lengthens, leading to clear bond alternation that reflects an increase in the phenyl ring resonance structure with double bonds at rC(1)‐C(2), rC(3)‐C(4) and rC(5)‐C(6). Syringol, with its symmetric methoxy substituents, possesses a microwave spectrum with tunneling doublets in the a‐type transitions associated with H‐atom tunneling. These splittings were fit to determine a barrier to hindered rotation of the OH group of 1975 cm−1, a value nearly 50 % greater than that in phenol, due to the presence of the intramolecular OH⋅⋅⋅OCH3 H‐bonds at the two equivalent planar geometries. In 4‐methyl guaiacol, methyl rotor splittings are observed and used to confirm and refine an earlier measurement of the three‐fold barrier V3=67 cm−1. Finally, 4‐vinyl guaiacol shows transitions due to two conformers differing in the relative orientations of the vinyl and OH groups.
Fine‐needle aspiration biopsy versus frozen section examination in assessing cervical lymph node metastasis in primary clinically positive neck papillary thyroid carcinoma
Authors: Du Wei , Fang Qigen , Dai Liyuan , Fan Jie
Published: February 2022

Background

Both fine‐needle aspiration biopsy (FNAB) and frozen section (FS) examination are reliable methods for assessing cervical lymph node (level II–V) metastasis (LNM) in papillary thyroid carcinoma (PTC). Our goal was to compare the diagnostic accuracy of FNAB and FS in clinically positive neck (cN+) PTC patients.

Methods

Altogether, 264 lymph node samples from 220 patients were prospectively enrolled. Samples were assessed by FNAB cytology (FNAB‐C), thyroglobulin (Tg) FNAB needle wash testing (FNAB‐Tg), and FS simultaneously. Diagnostic performance of the different methods were analyzed by the Chi‐square test.

Results

The sensitivity and specificity of FNAB‐C alone in predicting LNM was 87.4% and 85.7%, respectively. Combined with FNAB‐Tg, the sensitivity and specificity of FNAB‐C increased to 98.9% and 81.6%, respectively. The sensitivity and specificity of FS in predicting LNM was 92.4% and 81.1%, respectively. FNAB‐C and FNAB‐Tg had better sensitivity than FS when applied to solid lymph nodes, and comparable sensitivity when applied to cystic and cystic‐solid lymph nodes.

Conclusion

The utilization of FNAB‐Tg significantly improved the diagnostic ability of FNAB‐C. FS can be replaced by preoperative FNAB combined with FNAB‐Tg without compromising diagnostic accuracy.
Rocks and clocks revised: New promises and challenges in dating the primate tree of life
Authors: Pozzi Luca , Penna Anna
Published: February 2022

In recent years, multiple technological and methodological advances have increased our ability to estimate phylogenies, leading to more accurate dating of the primate tree of life. Here we provide an overview of the limitations and potentials of some of these advancements and discuss how dated phylogenies provide the crucial temporal scale required to understand primate evolution. First, we review new methods, such as the total‐evidence dating approach, that promise a better integration between the fossil record and molecular data. We then explore how the ever‐increasing availability of genomic‐level data for more primate species can impact our ability to accurately estimate timetrees. Finally, we discuss more recent applications of mutation rates to date divergence times. We highlight example studies that have applied these approaches to estimate divergence dates within primates. Our goal is to provide a critical overview of these new developments and explore the promises and challenges of their application in evolutionary anthropology.
Engineering a better light sheet in an axicon‐based system using a flattened Gaussian beam of low order
Authors: Saghafi Saiedeh , Becker Klaus , Gori Franco , Foroughipour Massih , Bollwein Christine , Foroughipour Meraaj , Steiger Katja , Weichert Wilko , Dodt Hans‐Ulrich
Published: February 2022

Lasers are fundamental tools in research and development. The shape of an incident laser beam directly affects the results, when it propagates through complex structured meso‐aspheric optical elements. In conic‐based systems utilizing elements such as axicons, the impact of secondary lobes is mostly overlooked, although the intensity distributions at the central spot and the side‐lobes directly affect the beam properties. We investigate the interaction of two axicons (160° and 170°) with incident beams approximated by Gaussian, high‐order Flattened‐Gaussian, and low‐order Flattened‐Gaussian functions. We demonstrate that replacing an incident Gaussian beam with a low‐order Flattened‐Gaussian beam reduces the secondary lobes and significantly improves the uniformity of the intensity profile. We practically applied this effect in engineering a conic‐aspheric‐based static light‐sheet microscope producing markedly improved results.
Surface plasmon resonance biosensor based on graphene layer for the detection of waterborne bacteria
Authors: Daher Malek G. , Taya Sofyan A. , Colak Ilhami , Patel Shobhit K. , Olaimat Melad M. , Ramahi Omar
Published: February 2022

As a result of the risks that waterborne bacteria bring to the human body, identifying them in drinking water has become a global concern. In this article, a highly sensitive surface plasmon resonance (SPR) biosensor consisting of prism, Ag, graphene, affinity layer and sensing medium is proposed for rapid detection of the waterborne bacteria. Four SPR‐based sensors are first studied with the structures prism/Ag/sensing medium, prism/Ag/affinity layer/sensing medium, prism/Ag/graphene/sensing medium, and prism/Ag/graphene/affinity layer/sensing medium. The latter structure is found to have the highest sensitivity so it is considered for further investigations. Four different commonly used prisms are then demonstrated which are N‐FK51A, 2S2G, SF10 and BK7. The structure with the prism N‐FK51A is found to correspond to the highest sensitivity so it is considered for further investigations. The structure parameters are then optimized. The proposed SPR sensor can achieve high sensitivity of about 221.63 °/RIU for Escherichia coli and 178.12 °/RIU for Vibrio cholera bacteria with an average value of 199.87 °/RIU. We believe that the proposed structure will open a new window in the field of microorganism detections.
USP5 promotes breast cancer cell proliferation and metastasis by stabilizing HIF2α
Authors: Huang Weixiao , Liu Xiong , Zhang Yao , Deng Mingxia , Li Guangqiang , Chen Guo , Yu Li , Jin Lai , Liu Tongzheng , Wang Yijie , Chen Yan
Published: February 2022

Hypoxia‐inducible factor 2α (HIF2α) plays a pivotal role in breast tumor growth and metastasis. However, the regulatory mechanisms of HIF2α protein stability remain poorly understood. The precise role of the deubiquitinase (DUB) ubiquitin‐specific peptidase 5 (USP5) in breast cancer and the underlying mechanism remains largely unknown. Here, we identified USP5 as a novel DUB for HIF2α. Physically, USP5 interacts with HIF2α and protects HIF2α from ubiquitin‐proteasome degradation, thereby promoting the transcription of HIF2α target genes, such as SLC2A1, PLOD2, P4HA1, and VEGFA. USP5 ablation impairs breast cancer cells proliferation, colony formation, migration, and invasion. Moreover, USP5 is highly expressed in breast cancer, and the protein levels of USP5 are positively correlated with HIF2α protein levels in human breast cancer tissues. Importantly, high levels of USP5 leads to poor clinical outcome in patients with breast cancer. Collectively, USP5 stabilizes HIF2α through its DUB activity and provides a potential therapeutic target for breast cancer.
The mechanotransduction of MLO‐Y4 cells is disrupted by the senescence‐associated secretory phenotype of neighboring cells
Authors: Gardinier Joseph D. , Chougule Amit , Zhang Chunbin
Published: February 2022

Age‐related bone loss is attributed to the accumulation of senescent cells and their increasing production of inflammatory cytokines as part of the senescence‐associated secretory phenotype (SASP). In otherwise healthy individuals, osteocytes play a key role in maintaining bone mass through their primary function of responding to skeletal loading. Given that osteocytes' response to loading is known to steadily decline with age, we hypothesized that the increasing presence of senescent cells and their SASP inhibit osteocytes' response to loading. To test this hypothesis, we developed two in vitro models of senescent osteocytes and osteoblasts derived from MLO‐Y4 and MC3T3 cell lines, respectively. The senescent phenotype was unique to each cell type based on distinct changes in cell cycle inhibitors and SASP profile. The SASP profile of senescent osteocytes was in part dependent on nuclear factor‐κB signaling and presents a new potential mechanism to target the SASP in bone. Nonsenescent MLO‐Y4 cells cultured with the SASP of each senescent cell type failed to exhibit changes in gene expression as well as ERK phosphorylation and prostaglandin E2 release. The SASP of senescent osteocytes had the largest effect and neutralizing interleukin‐6 (IL‐6) as part of the SASP restored osteocytes' response to loading. The loss in mechanotransduction due to IL‐6 was attributed to a decrease in P2X7 expression and overall sensitivity to purinergic signaling. Altogether, these findings demonstrate that the SASP of senescent cells have a negative effect on the mechanotransduction of osteocytes and that IL‐6 is a key SASP component that contributes to the loss in mechanotransduction.
Ultrathin 2D g‐C3N4 nanosheets for visible‐light photocatalytic reforming of cellulose into H2 under neutral conditions
Authors: Hong Yuanzhi , Zhang Xue , Lin Xue , Liu Enli , Wang Longyan , Shi Weilong , Duan Xixin
Published: February 2022

BACKGROUND

The photocatalytic reforming (PR) of abundant and renewable cellulosic biomass resources into hydrogen (H2) fuel is a promising approach for solar‐to‐chemical energy conversion. Although the related PR reactions have been investigated, the majority of previous works were operated in strong alkaline conditions (pH > 14) owing to the insolubility of cellulose, and used UV‐driven titania (TiO2)‐based materials as photocatalysts.

RESULTS

To this end, for the first time, we present ultrathin 2D graphitic‐like carbon nitride (g‐C3N4) nanosheets (CNNs) derived from the thermal‐oxidation strategy for PR of cellulose into H2 under neutral conditions. Compared to bulk g‐C3N4 (BCN), the resulting ultrathin CNNs with an average thickness of 6 nm showed a remarkably increased surface area, significantly improved photogenerated charge mobility, higher electrical conductivity and stronger photooxidation capacity. Consequently, the as‐prepared CNNs displayed dramatically enhanced visible‐light PR activity for H2 evolution that was 3.93‐fold greater than that of BCN under the same conditions.

CONCLUSION

Our study achieves an available avenue for PR of cellulose into H2 under neutral conditions without the need for value‐added sacrificial reagents, which will bring about potential applications in sustainable H2 production through the PR reaction. © 2022 Society of Chemical Industry (SCI).
Improving the interpretation of standardized precipitation index estimates to capture drought characteristics in changing climate conditions
Authors: Blain Gabriel Constantino , da Rocha Sobierajski Graciela , Weight Elizabeth , Martins Letícia Lopes , Xavier Ana Carolina Freitas
Published: February 2022

The standardized precipitation index (SPI) was developed as a stationary method in which the parameters of the distribution used to estimate the cumulative probability of rainfall amounts do not vary over time. Considering that changing climatic conditions may violate the assumption of stationarity, a nonstationary version of the SPI (NSPI) has been proposed. However, since time‐varying parametric distributions tend to remove the effect of rainfall trends on NSPI estimates, this latter index may fail to quantify the severity of drought events. In this study, we developed a four‐step algorithm that uses information generated by the NSPI algorithm to improve the interpretation of SPI estimates in terms of their probability of occurrence under changing climate conditions. This statistical/computational algorithm uses a nonstationary approach to detect trends in rainfall quantities and to quantify the effect of such trends on the probability of a particular SPI value occurring. The suitability of this algorithm was evaluated through Monte Carlo experiments and through two case study applications. The first study case applied the algorithm to historical rainfall series for the UK. The second applied the algorithm to gridded rainfall data for South America. The results found in this study demonstrated that, in the presence of temporal changes in rainfall frequency distributions, the probabilities of drought events estimated by the four‐step algorithm were consistently closer to the observed frequency of SPI than the probabilities estimated by the original SPI algorithm. In conclusion, the four‐step algorithm improved the interpretation of SPI values in terms of their expected frequencies under climate changing conditions. This algorithm is able to detect changes in the frequency of SPI values, to quantify how these changes affect the probability of drought events according to the SPI classification system, isolating its effect on the central tendency and on the dispersion of SPI distributions.
The Design of Low‐Cost Stand‐Alone Microcontroller‐Based Wireless Ultrasonic System for Process Monitoring and Analysis
Authors: Keskinoğlu Cemil , Aydın Ahmet
Published: February 2022

Objectives

Ultrasound technology is currently used in many areas, such as imaging, analysis, and process monitoring. The noninvasive implementation, nondestructive effect on the material to be applied, and low cost of the needed components give an advantage to the ultrasonic systems when compared to other methods for analysis and process monitoring studies. However, the current ultrasonic analysis setups used in the studies require additional devices such as a signal generator and oscilloscope. These devices used in the setup increase the cost, size, usage difficulty of the system and, most importantly, decrease the portability and stability. In order to prevent these disadvantages, an ultrasonic system that can work in real‐time and its software are developed to be used in analysis and process monitoring without any additional devices.

Methods

This system was designed by using a microcontroller. The developed system is portable, has a small size, and a Bluetooth Low Energy connection. It has a battery for using standalone.

Results

Therefore, it can be easily used in different small and closed measurement environments such as incubators and controlled remotely. In addition, a mixture was analyzed with both the designed system and a commercial module. When the results are compared, two systems are found highly correlated

Conclusion

In this study, an embedded ultrasonic measurement system and its software are developed to be used in analysis studies, density measurements, and real‐time process monitoring as a stand‐alone device.
Dielectric Metasurfaces Enabled Ultradensely Integrated Multidimensional Optical System
Authors: Zhou Hailong , Wang Yilun , Gao Xiaoyan , Gao Dingshan , Dong Jianji , Huang Dongmei , Li Feng , Alexander Wai Ping‐kong , Zhang Xinliang
Published: February 2022

Metasurfaces consisted of subwavelength nanostructures can extremely interact with light and manipulate the characteristics of amplitude, phase, and polarization. In particular, on‐chip dielectric metasurfaces have attracted significant attention for optical communication and computing, due to its compact footprint, low loss, and broad bandwidth. Herein, an ultradensely integrated multidimensional optical system with a footprint of only 20 × 30 µm2 based on inverse‐designed dielectric metasurface network, incorporating mode‐division multiplexing, and coherent optical communication technologies that can multiply the system capacity is demonstrated. It is assembled by the ultracompact multifunction on‐chip metasurface devices, including four‐mode demultiplexer, optical hybrid, crossing, and bending, which all have a size of only several micrometers. The inverse‐designed work can significantly broaden the integrated device applications of on‐chip metasurfaces and pave an alternative way for large‐scale high‐capacity optical communication system.
Being there without being there: Gifts compensate for lack of in‐person support
Authors: Wiener Hillary J. D. , Howe Holly S. , Chartrand Tanya L.
Published: February 2022

Providing social support is a critical part of being in a relationship with someone, but people often struggle to support loved ones in person. In this paper, we show how givers can use gifts to compensate for not providing in‐person social support. Study 1 shows that when it is prohibitively difficult for givers to provide in‐person support, they give more expensive gifts. Study 2 replicates this effect for likelihood to give a gift and shows it is not due to social desirability. Studies 3, 4a, and 4b find that guilt over not having provided adequate support drives people to give gifts, and that giving gifts partially relieves givers' feelings of guilt. Studies 5 and 6 examine moderation. In Study 5, people only compensate for a lack of in‐person support with a gift when they have a strong obligation to support the recipient because they are close to them. Study 6 shows that money does not substitute for in‐person support. We show the role of gifts in enhancing givers' wellbeing and provide new customer insights to managers on reasons people purchase gifts.
Interview: "Faszinierender Ausnahmefall"
Authors: Zbikowski Frauke
Published: February 2022

Den Chemiker:innen stellen sich ständig ethische Fragen – vom Umgang mit Dual‐Use‐Themen bis zur Gentechnik. Aber sind sie darauf vorbereitet? Ein Gespräch mit der Philosophin Julia Dietrich.
Chemiedidaktik: Welcher Zucker ist in der Probe
Authors: Rautenstrauch Hanne , Ruppersberg Klaus , Proske Wolfgang
Published: February 2022

Die Kohlenhydratnachweise in Schulbüchern sind oft nicht besonders aussagekräftig oder eignen sich aus Sicherheitsgründen schlecht für Kinder und Jugendliche. Aber es gibt Alternativen, und einige der Tests lassen sich einfach weiterentwickeln, sodass sie ungefährlicher und eindeutiger sind. Eine Übersicht.
Dynamic alteration in myocardium creatine during acute infarction using MR CEST imaging
Authors: Liu Jie , Xie Chuan‐Miao , Liu Qi , Xu Jian , Zheng Li‐Yun , Liu Xin , Zheng Hairong , Wu Yin
Published: February 2022

Creatine (Cr) is an essential metabolite in the creatine kinase reaction, which plays a critical role in maintaining normal cardiac function. Chemical exchange saturation transfer (CEST) MRI offers a novel way to map myocardium Cr. This study aims to investigate the dynamic alteration in myocardium Cr during acute infarction using CEST MRI, which may facilitate understanding of the heart remodeling mechanism at the molecular level. Seven adult Bama pigs underwent cardiac cine, Cr CEST, and late gadolinium‐enhanced (LGE) T1‐weighted (T1w) imaging three and 14 days after myocardial infarction induction on a 3 T scanner. Cardiac structural and functional indices, including myocardium mass (MM), end‐diastolic volume (EDV), end‐systolic volume (ESV), stroke volume (SV), and ejection fraction (EF), were measured from cines. Infarct angle was determined from LGE T1w images, based on which myocardium was classified into infarct, adjacent, and remote regions. Cr‐weighted CEST signal was quantified from a three‐pool Lorentzian fitting model and measured within each region and the entire myocardium. Student's t‐test was conducted to evaluate any significant differences in measurements between the two time points. Correlation was assessed with Pearson correlation. P values less than 0.05 were considered statistically significant. Over the studied period, MM, EDV, and ESV did not alter significantly (P > 0.05), whereas significant increases of SV and EF and decrease of infarct angle were observed (P < 0.05). Meanwhile, the Cr‐weighted CEST signal elevated significantly on Day 14 compared with Day 3 in the infarct (10.00 ± 1.28% versus 6.91 ± 1.54%, P < 0.01), adjacent (11.17 ± 2.00% versus 8.01 ± 1.58%, P = 0.01), and entire myocardium (11.03 ± 1.36% versus 8.19 ± 1.28%, P < 0.01). Moderate negative correlations were shown between the infarct angle and Cr‐weighted CEST signals in the infarct (r = −0.80, P < 0.001), adjacent (r = −0.58, P = 0.03), and entire myocardium (r = −0.76, P < 0.01). In conclusion, the dynamic increase of myocardium Cr during acute infarction may interact with cardiac structural and functional recovery. The study provides supplementary insights into the heart remodeling process from the metabolic viewpoint.
Effects of modified hexagonal boron nitride on electrical insulation properties of LLDPE/EAA nanocomposites
Authors: Zhang Xing , Yang Fanghong , Sun Xiaopeng , Li Wenfei , Yao Zhanhai
Published: February 2022

Inorganic nanoparticles are widely used to improve the electrical insulation properties of polymer materials as a result of their excellent dielectric properties and space charge suppression. However, high surface energy means that they easily agglomerate in a matrix, which limits the improvement of the insulation properties of a polymer. In this work, nanocomposites that can withstand a high‐voltage DC field were successfully prepared by incorporating two types of modified hexagonal boron nitride (h‐BN) into linear low‐density polyethylene/ethylene‐acrylic acid copolymer (LLDPE/EAA). The results indicate the introduction of the two types of modified h‐BN can improve electrical properties significantly. For example, the internal space charge is suppressed obviously and DC breakdown strength of the nanocomposite prepared by introducing 0.5 wt% covalently modified h‐BN reaches 480.8 kV mm−1, which is 72.9% higher than that of pure LLDPE. This investigation paves a new way for the application of modified h‐BN in the development of polyethylene insulating materials. © 2022 Society of Industrial Chemistry.
Evidence of enhanced reproductive performance and lack‐of‐fitness costs among soybean aphids, Aphis glycines, with varying levels of pyrethroid resistance
Authors: Valmorbida Ivair , Coates Brad S. , Hodgson Erin W. , Ryan Molly , O’Neal Matthew E.
Published: February 2022

BACKGROUND

Foliar application of insecticides is the main strategy to manage soybean aphid, Aphis glycines (Hemiptera: Aphididae), in the northcentral United States. Subpopulations of A. glycines have multiple nonsynonymous mutations in the voltage‐gated sodium channel (vgsc) genes that are associated with pyrethroid resistance. We explored if fitness costs are associated with phenotypes conferred by vgsc mutations using life table analyses. We predicted that there would be significant differences between pyrethroid susceptibility and field‐collected, parthenogenetic isofemale clones with differing, nonsynonymous mutations in vgsc genes.

RESULTS

Estimated resistance ratios for the pyrethroid‐resistant clones ranged from 3.1 to 37.58 and 5.6 to 53.91 for lambda‐cyhalothrin and bifenthrin, respectively. Although life table analyses revealed some biological and demographic parameters to be significantly different among the clonal lines, there was no association between levels of pyrethroid resistance and a decline in fitness. By contrast, one of the most resistant clonal lines (SBA‐MN1‐2017) had a significantly higher finite rate of increase, intrinsic rate of increase and greater overall fitness compared to the susceptible control and other pyrethroid‐resistant clonal lines.

CONCLUSIONS

Our life history analysis suggests that there are no negative pleotropic effects associated with the pyrethroid resistance in the clonal A. glycines lines used in this study. We discuss the potential impact of these results on efficacies of insecticide resistance management (IRM) and integrated pest management (IPM) plans directed at delaying the spread of pyrethroid‐resistant A. glycines.
Valproate and clozapine
Authors: Lam Y. W. Francis
Published: February 2022

Anticonvulsant drugs such as valproic acid are frequently used in the management of non‐neurologic disorders such as bipolar disorder. Valproic acid has also been used as a prophylactic anticonvulsant medication in clozapine‐treated patients. Because valproic acid shares several metabolic pathways with clozapine, the likelihood of drug interactions with these two drugs is high.