bluuebunny/crossref_metadata_2025 huggingface dataset:
Multiple 2D Phase Transformations in Monolayer Transition Metal Chalcogenides
Authors: Hong Jinhua , Chen Xi , Li Pai , Koshino Masanori , Li Shisheng , Xu Hua , Hu Zhixin , Ding Feng , Suenaga Kazu
Published: March 2022

Phase transformation lies at the heart of materials science because it allows for the control of structural phases of solids with desired properties. It has long been a challenge to manipulate phase transformations in crystals at the nanoscale with designed interfaces and compositions. Here in situ electron microscopy is employed to fabricate novel 2D phases with different stoichiometries in monolayer MoS2 and MoSe2. The multiphase transformations: MoS2 → Mo4S6 and MoSe2 → Mo6Se6 which are highly localized with atomically sharp boundaries are observed. Their atomic mechanisms are determined as chalcogen 2H ↔ 1T sliding, cation shift, and commensurate lattice reconstructions, resulting in decreasing direct bandgaps and even a semiconductor–metal transition. These results will be a paradigm for the manipulation of multiphase heterostructures with controlled compositions and sharp interfaces, which will guide the future phase engineered electronics and optoelectronics of metal chalcogenides.
Transfer Printing of Roughened GaN‐Based Light‐Emitting Diodes into Reflective Trenches for Visible Light Communication
Authors: Shaban Zeinab , Li Zhi , Roycroft Brendan , Saei Mehrdad , Mondal Tanmay , Corbett Brian
Published: March 2022

There is a great need to integrate dissimilar visible light components for the fabrication of thin, flexible, and 3D structures in the next generations of display and communication systems. Compared with monolithic integration, microtransfer printing (μTP) of miniaturized devices allows the heterogeneous assembly of diverse devices in a scalable and cost‐effective manner for expanded functionality. Here, advantages of μTP technology to boost the directional light output of light‐emitting diodes (LEDs) are demonstrated with a remarkable sevenfold enhancement compared with devices on the original substrate. This is achieved using an original integrated approach to roughen the backside of the GaN‐on‐Si LEDs during their release together with their printing into 10 μm‐deep reflective trenches formed in a new substrate. To address the bending of the 110 × 110 μm2LEDs due to the internal stress from the GaN layers, compensational stress with deposited SiNxis engineered, which results in flat surfaces and successful transfer printing. Finally, the LEDs in trench are used in visible light communication (VLC), showing higher signal‐to‐noise ratio and lower bit‐error rate compared with a flat platform due to higher power collected. This strategy could be used to integrate different colors of LEDs for enhanced VLC as well as in displays.
2‐Formyl Benzamides from an N‐Phthalimidoyl Sulfoximine
Authors: Tu Yongliang , Shi Peng , Bolm Carsten
Published: March 2022

Under mild conditions, an N‐phthalimidoyl sulfoximine undergoes aminolysis to provide a wide range of 2‐formyl benzamides in good to high yields. An unprecedented variant of McFadyen‐Stevens reaction explains the product formation. The applicability of the products as building blocks for nitriles and alkynes has been demonstrated.

magnified image
Biomineralized Materials as Model Systems for Structural Composites: Intracrystalline Structural Features and Their Strengthening and Toughening Mechanisms
Authors: Deng Zhifei , Jia Zian , Li Ling
Published: March 2022

Biomineralized composites, which are usually composed of microscopic mineral building blocks organized in 3D intercrystalline organic matrices, have evolved unique structural designs to fulfill mechanical and other biological functionalities. While it has been well recognized that the intricate architectural designs of biomineralized composites contribute to their remarkable mechanical performance, the structural features within and corresponding mechanical properties of individual mineral building blocks are often less appreciated in the context of bio‐inspired structural composites. The mineral building blocks in biomineralized composites exhibit a variety of salient intracrystalline structural features, such as, organic inclusions, inorganic impurities (or trace elements), crystalline features (e.g., amorphous phases, single crystals, splitting crystals, polycrystals, and nanograins), residual stress/strain, and twinning, which significantly modify the mechanical properties of biogenic minerals. In this review, recent progress in elucidating the intracrystalline structural features of three most common biomineral systems (calcite, aragonite, and hydroxyapatite) and their corresponding mechanical significance are discussed. Future research directions and corresponding challenges are proposed and discussed, such as the advanced structural characterizations and formation mechanisms of intracrystalline structures in biominerals, amorphous biominerals, and bio‐inspired synthesis.
Acute Myeloid Leukemia Cells Educate Mesenchymal Stromal Cells toward an Adipogenic Differentiation Propensity with Leukemia Promotion Capabilities
Authors: Zhang Luwen , Zhao Qiong , Cang Hui , Wang Ziqiang , Hu Xiaojia , Pan Ruolang , Yang Yang , Chen Ye
Published: March 2022

Mesenchymal stromal cells (MSCs) are essential elements of the bone marrow (BM) microenvironment, which have been widely implicated in pathways that contribute to leukemia growth and resistance. Recent reports showed genotypic and phenotypic alterations in leukemia patient‐derived MSCs, indicating that MSCs might be educated/reprogrammed. However, the results have been inconclusive, possibly due to the heterogeneity of leukemia. Here, the authors report that acute myeloid leukemia (AML) induces MSCs towards an adipogenic differentiation propensity. RNAseq analysis reveal significant upregulation of gene expression enriched in the adipocyte differentiation process and reduction in osteoblast differentiation. The alteration is accompanied by a metabolic switch from glycolysis to a more oxidative phosphorylation‐dependent manner. Mechanistic studies identify that AML cell‐derived exosomes play a vital role during the AML cell‐mediated MSCs education/reprogramming process. Pre‐administration of mice BM microenvironment with AML‐derived exosomes greatly enhance leukemia engraftment in vivo. The quantitative proteomic analysis identified a list of exosomal protein components that are differently expressed in AML‐derived exosomes, which represent an opportunity for novel therapeutic strategies based on the targeting of exosome‐based AML cells‐MSCs communication. Collectively, the data show that AML‐educated MSCs tend to differentiate into adipocytes contributing to disease progression, which suggests complex interactions of leukemia with microenvironment components.
Kneading‐Inspired Versatile Design for Biomimetic Skins with a Wide Scope of Customizable Features
Authors: Huang Jiahui , Wu Peiyi
Published: March 2022

Biomimetic skins featuring customizable functions and human tissue‐compatible mechanical properties have garnered tremendous interest for potential applications in human–machine interfaces, flexible wearable devices, and soft robotics. However, most existing skin‐like materials require complex molecular design or multistep functionalization to achieve various functionalities that match or even surpass the performance of human skin. Thus, simultaneously minimizing production costs and achieving customizable features are still highly desirable yet challenging. Herein, inspired by a well‐known kneading technique that renders a homogeneous mixture of all the ingredients, a versatile method involving two steps of kneading and resting is employed to prepare biomimetic skins with a wide scope of customizable features. Commonly used one‐dimensional (1D), two‐dimensional (2D), three‐dimensional (3D) nanofillers and even solvents are demonstrated to be homogeneously dispersed in the viscoelastic hydrogel matrices by hand kneading, which not only contributes to improved mechanical properties and new functionalities, but also makes full use of raw materials without waste. Furthermore, similar to the combination of “condiments” in kneading dough, the flexible integration of functional fillers offers exciting and versatile platforms for the design of biomimetic skins with tunable application‐specific properties, such as mechanical compliance, sensory capabilities, freezing resistance, 3D printability, fluorescence tunability, etc.
Pushing the Efficiency of High Open‐Circuit Voltage Binary Organic Solar Cells by Vertical Morphology Tuning
Authors: Cai Guilong , Chen Zeng , Xia Xinxin , Li Yuhao , Wang Jiayu , Liu Heng , Sun PingPing , Li Chao , Ma Ruijie , Zhou Yaoqiang , Chi Weijie , Zhang Jianqi , Zhu Haiming , Xu Jianbin , Yan He , Zhan Xiaowei , Lu Xinhui
Published: March 2022

The tuning of vertical morphology is critical and challenging for organic solar cells (OSCs). In this work, a high open‐circuit voltage (VOC) binary D18‐Cl/L8‐BO system is attained while maintaining the high short‐circuit current (JSC) and fill factor (FF) by employing 1,4‐diiodobenzene (DIB), a volatile solid additive. It is suggested that DIB can act as a linker between donor or/and acceptor molecules, which significantly modifies the active layer morphology. The overall crystalline packing of the donor and acceptor is enhanced, and the vertical domain sizes of phase separation are significantly decreased. All these morphological changes contribute to exciton dissociation, charge transport, and collection. Therefore, the best‐performing device exhibits an efficiency of 18.7% with a VOC of 0.922 V, a JSC of 26.6 mA cm−2, and an FF of 75.6%. As far as it is known, the VOC achieved here is by far the highest among the reported OSCs with efficiencies over 17%. This work demonstrates the high competence of solid additives with two iodine atoms to tune the morphology, particularly in the vertical direction, which can become a promising direction for future optimization of OSCs.
Synergistic Passivation of Perovskite Absorber Films for Efficient Four‐Terminal Perovskite/Silicon Tandem Solar Cells
Authors: Yan Li , Qiu Shudi , Yu Bohao , Huang Jincheng , Qiu Jufeng , Zhang Cuiling , Guo Fei , Yang Yuzhao , Mai Yaohua
Published: March 2022

A high‐performance semitransparent perovskite solar cell (PSC) with small photovoltage loss is highly desired to achieve efficient and stable perovskite/silicon tandem solar cells. Herein, a synergistic passivation strategy is developed to suppress the electronic defects at both the grain boundary and surface of a perovskite layer (Cs0.05FA0.82MA0.13Pb(I2.86Br0.14)). It is found that the incorporation of a small amount of sodium fluoride (NaF) into perovskite precursor solution modulates the crystallization process, which results in large crystal grains with enhanced conductivity at the grain boundaries. Meanwhile, a thin 2D perovskite layer is constructed on the surface of the 3D perovskite film by solution coating a layer of phenethylammonium iodide (PEAI), which passivates the surface defects and improves the stability of perovskite films. As a consequence, the optimized semitransparent p–i–n PSC delivers a high power conversion efficiency (PCE) of 17.55% with an open‐circuit voltage of 1.11 V. Combining the semitransparent PSCs with a silicon cell, the efficiency of the four‐terminal perovskite/silicon tandem solar cells reaches a PCE of 23.82%.
Microdeletion of 16q24.1–q24.2—A unique etiology of Lymphedema–Distichiasis syndrome and neurodevelopmental disorder
Authors: Michelson Marina , Lidzbarsky Gabriel , Nishri Daniella , Israel‐Elgali Ifat , Berger Rachel , Gafner Michal , Shomron Noam , Lev Dorit , Goldberg Yael
Published: March 2022

Interstitial deletions of 16q24.1–q24.2 are associated with alveolar capillary dysplasia, congenital renal malformations, neurodevelopmental disorders, and congenital abnormalities. Lymphedema–Distichiasis syndrome (LDS; OMIM # 153400) is a dominant condition caused by heterozygous pathogenic variants inFOXC2. Usually, lymphedema and distichiasis occur in puberty or later on, and affected individuals typically achieve normal developmental milestones. Here, we describe a boy with congenital lymphedema, distichiasis, bilateral hydronephrosis, and global developmental delay, with a de novo microdeletion of 894 kb at 16q24.1–q24.2. This report extends the phenotype of both 16q24.1–q24.2 microdeletion syndrome and of LDS. Interestingly, the deletion involves only the 3′‐UTR part ofFOXC2.
A Pd−H/Isothiourea Cooperative Catalysis Approach to anti‐Aldol Motifs: Enantioselective α‐Alkylation of Esters with Oxyallenes**
Authors: Lin Hua‐Chen , Knox Gary J. , Pearson Colin M. , Yang Chao , Carta Veronica , Snaddon Thomas N.
Published: March 2022

The biological and therapeutic significance of natural products is a powerful impetus for the development of efficient methods to facilitate their construction. Accordingly, and reflecting the prevalence of β‐oxy‐carbonyl motifs, a sophisticated arsenal of aldol‐based strategies has evolved that is contingent on the generation of single enolate isomers. Since this has the potential to compromise efficiency in reagent‐based paradigms, direct catalysis‐based solutions would be enabling. To complement the array of substrate‐based strategies, and regulate enolate geometry at the catalyst level, a direct catalytic alkylation of esters with oxyallenes has been developed. Synergizing metal hydride reactivity with Lewis base catalysis has resulted in a broad reaction scope with useful levels of stereocontrol (up to >99 % ee). Facile derivatization of these ambiphilic linchpins is demonstrated, providing access to high‐value vicinal stereocenter‐containing motifs, including 1,2‐amino alcohols.
Oligomeric Acceptor: A “Two‐in‐One” Strategy to Bridge Small Molecules and Polymers for Stable Solar Devices
Authors: Wang Hengtao , Cao Congcong , Chen Hui , Lai Hanjian , Ke Chunxian , Zhu Yulin , Li Heng , He Feng
Published: March 2022

Oligomeric acceptors are expected to combine the advantages of both highly developed small molecular and polymeric acceptors. However, organic solar cells (OSCs) based on oligomers lag far behind due to their slow development and low diversity. Here, three oligomeric acceptors were produced through oligomerization of small molecules. The dimer dBTICγ‐EH achieved the best power conversion efficiencies (PCEs) of 14.48 % in bulk heterojunction devices and possessed a T80 (80 % of the initial PCE) lifetime of 1020 h under illumination, which were far better than that of small molecular and polymeric acceptors. More excitingly, it showed PCEs of 16.06 % in quasi‐planar heterojunction (Q‐PHJ) devices which is the highest value OSCs using oligomeric acceptors to date. These results suggest that oligomerization of small molecules is a promising strategy to achieve OSCs with optimized performance between the high efficiency and durable stability, and offer oligomeric materials a bright future in commercial applications.
Cold Denaturation of Proteins in the Absence of Solvent: Implications for Protein Storage**
Authors: Norgate Emma L. , Upton Rosie , Hansen Kjetil , Bellina Bruno , Brookes C. , Politis Argyris , Barran Perdita E.
Published: March 2022

The effect of temperature on the stability of proteins is well explored above 298 K, but harder to track experimentally below 273 K. Variable‐temperature ion mobility mass spectrometry (VT IM‐MS) allows us to measure the structure of molecules at sub‐ambient temperatures. Here we monitor conformational changes that occur to two isotypes of monoclonal antibodies (mAbs) on cooling by measuring their collision cross sections (CCS) at discrete drift gas temperatures from 295 to 160 K. The CCS at 250 K is larger than predicted from collisional theory and experimental data at 295 K. This restructure is attributed to change in the strength of stabilizing intermolecular interactions. Below 250 K the CCS of the mAbs increases in line with prediction implying no rearrangement. Comparing data from isotypes suggest disulfide bridging influences thermal structural rearrangement. These findings indicate that in vacuo deep‐freezing minimizes denaturation and maintains the native fold and VT IM‐MS measurements at sub ambient temperatures provide new insights to the phenomenon of cold denaturation.
Signal Transduction Strategies for Analyte Detection Using DNA‐Based Nanostructures
Authors: Lee Seungheon , Godhulayyagari Shivudu , Nguyen Shadler T. , Lu Jasmine K. , Ebrahimi Sasha B. , Samanta Devleena
Published: March 2022

The use of DNA‐based nanostructures as probes has led to significant advances in chemical and biological sensing, allowing the detection of analytes in complex media, the understanding of fundamental biological processes, and the ability to diagnose diseases based on molecular signatures. The utility of these structures arises both from DNA's inherent ability to selectively recognize and bind a variety of chemical species and from the unique properties observed when DNA is restructured at the nanoscale. In this Minireview, we chronicle the most commonly used signal transduction strategies that have been interfaced with various DNA‐based nanostructures. We discuss the types of analytes and the detection scenarios that are sought after, delineate the advantages and disadvantages of each signaling strategy, and outline the key considerations that guide the selection of each signaling method.
Correlative Electrochemical Microscopy for the Elucidation of the Local Ionic and Electronic Properties of the Solid Electrolyte Interphase in Li‐Ion Batteries
Authors: Santos Carla S. , Botz Alexander , Bandarenka Aliaksandr S. , Ventosa Edgar , Schuhmann Wolfgang
Published: March 2022

The solid‐electrolyte interphase (SEI) plays a key role in the stability of lithium‐ion batteries as the SEI prevents the continuous degradation of the electrolyte at the anode. The SEI acts as an insulating layer for electron transfer, still allowing the ionic flux through the layer. We combine the feedback and multi‐frequency alternating‐current modes of scanning electrochemical microscopy (SECM) for the first time to assess quantitatively the local electronic and ionic properties of the SEI varying the SEI formation conditions and the used electrolytes in the field of Li‐ion batteries (LIB). Correlations between the electronic and ionic properties of the resulting SEI on a model Cu electrode demonstrates the unique feasibility of the proposed strategy to provide the two essential properties of an SEI: ionic and electronic conductivity in dependence on the formation conditions, which is anticipated to exhibit a significant impact on the field of LIBs.
Surface Engineering of Palladium Nanocrystals: Decoupling the Activity of Different Surface Sites on Nanocrystal Catalysts
Authors: Goo Bon Seung , Ham Kyungrok , Han Yeji , Lee Seunghoon , Jung Hayoon , Kwon Yongmin , Kim Youngmin , Hong Jong Wook , Han Sang Woo
Published: March 2022

The existence of various surface active sites within a nanocrystal (NC) catalyst complicates understanding their respective catalytic properties and designing an optimal catalyst structure for a desired catalytic reaction. Here, we developed a novel approach that allows unequivocal investigation on the intrinsic catalytic reactivity of the edge and terrace atoms of NCs. Through the comparison of the catalytic behaviors of edge‐covered Pd NCs, which were prepared by the selective deposition of catalytically inactive Au atoms onto the edge sites of rhombic dodecahedral (RD) Pd NCs, with those of the pristine RD Pd NCs toward alkyne hydrogenation and Suzuki–Miyaura coupling reactions, we could decouple the activity of the edge and {110}‐plane atoms of the Pd NCs without uncertainties. We expect that this study will provide an opportunity to scrutinize the surface properties of various NC catalysts to a more precise level and devise ideal catalysts for intended catalytic reactions.
Novel thioether Schiff base transition metal complexes: Design, synthesis, characterization, molecular docking, computational, biological and catalytic studies
Authors: Singh Anmol , Gogoi Himadri Priya , Barman Pranjit , Guha Ankur Kanti
Published: March 2022

A series of novel copper(II), nickel(II), zinc(II) and cobalt(II) Schiff base metal complexes were synthesized by the reaction of 2‐(benzylthio) aniline with pyrrole‐2‐carboxaldehyde and characterized by FT‐IR, UV–visible, elemental analyses, 1H‐NMR, magnetic susceptibility and ESI‐MS. The Schiff base ligand posed as an NS‐bidentate ligand, confirming the synthesis of metal complexes with the suggested structure, according to the spectrum analysis data. All the complexes acquire square planar geometry. Furthermore, the DFT method was utilized to conduct computational analyses of metal complexes. The spectroscopic (UV–Vis and fluorescence) techniques were employed to probe the binding nature of calf thymus‐DNA binding to metal complexes. The metal complexes interact with DNA through intercalative mode, according to the spectroscopic titration data. The antioxidant properties of metal complexes were evaluated using their reducing ability and free radical scavenging activity of DPPH. The antioxidant property is high in isolated complexes. The in vitro anti‐inflammatory efficacy of all complexes has also been studied. All the metal complexes exhibited effective anti‐inflammatory activity and can be used as synthetic drugs. The synthesized copper(II) complex exhibits excellent catalytic activities for the transformation reaction of alcohol to aldehyde in the presence of hydrogen peroxide. The interaction of metal complexes with active sites of the B‐DNA (1‐BNA) and 6‐COX (COX 2) was studied using docking studies.
Effect of cyclophosphazene nucleated hyperbranched polyester on flame retardancy and mechanical properties of epoxy resins
Authors: Yu Hailong , Tian Li , Zhu Yingxue , Zhu Anjun , Mao Xin , Yang Baoping , Guo Junhong , Mu Bo , Cui Jinfeng
Published: March 2022

Hexakis(4‐hydroxyphenoxy) cyclotriphosphazene (PN‐OH) was synthesized by a nucleophilic substitution and aldehyde reduction reaction of hexachlorocyclotriphosphazene with p‐hydroxybenzaldehyde, and then cyclophosphazene nucleated hyperbranched polyesters (HBP) were prepared via a one‐pot esterification reaction of PN‐OH and dimethylolpropionic acid. The chemical structure and molecular weight distribution of HBP were confirmed by 1H‐NMR, FTIR, and GPC. The HBP was applied to epoxy resin (EP) to improve its mechanical properties and flame retardancy. The cone calorimeter test revealed that the maximum heat release rate, total heat release and total smoke release of HBP/EP composites were reduced by 35.9%, 21.6%, and 27.3%, respectively, when 7 wt% HBP was added to the EP matrix compared with pure EP. Meanwhile, when 7 wt% HBP was added to EP composites, the limiting oxygen index value was increased from 24.6% to 27.7% and the UL‐94 test reached a V‐1 rating. More importantly, the thermal stability and mechanical properties of the HBP/EP composites were enhanced. The flame retardant mechanism analysis showed that HBP primarily acted as a flame retardant in the condensed phase. These results indicate that the HBP/EP composites have exceptional overall performance and a broad range of applications in critical fields.
Functioning of K channels during sleep
Authors: Kodirov Sodikdjon A.
Published: March 2022

The functioning of voltage‐dependent K channels (Kv) may correlate with the physiological state of brain in organisms, including the sleep inDrosophila. Apparently, all major types of K currents are expressed in CNS of this model organism. These are theShab—Kv2,Shaker—Kv1,Shal—Kv4, andShaw—Kv3 α subunits and can be deciphered by patch‐clamp technique. Although it is plausible that some of these channels may play a prevailing role in sleep or wakefulness, several of recent data are not conclusive. It needs to be defined that indeed the frequency of action potentials in large ventral lateral pacemaker neurons is either higher or lower during the morning or night because of an increased Kv3 and Kv4 currents, respectively. The outcomes of dynamic‐clamp approach in combination with electrophysiology in insects are unreliable in contrast to those in mammalian neurons. Since the addition of virtual Kv conductance during anyZeitgebertime should not significantly alter the resting membrane potential. This review explains theDrosophilasleep behavior based on neural activity with respect to K current‐driven action potential rate.
Map‐based cloning and functional analysis revealed ABCC2 is responsible for Cry1Ac toxin resistance inBombyx mori
Authors: Wang Xin , Yi Xiao‐li , Hou Cheng‐xiang , Wang Xue‐yang , Sun Xia , Zhang Zhong‐jie , Qin Sheng , Li Mu‐wang
Published: March 2022

Bt toxins are parasporal crystals produced byBacillus thuringiensis(Bt). They have specific killing activity against various insects and have been widely used to control agricultural pests. However, their widespread use has developed the resistance of many target insects. To maintain the sustainable use of Bt products, the resistance mechanism of insects to Bt toxins must be fully clarified. In this study, Bt‐resistant and Bt‐susceptible silkworm strains were used to construct genetic populations, and the genetic pattern of silkworm resistance to Cry1Ac toxin was determined. Sequence‐tagged site molecular marker technology was used to finely map the resistance gene and to draw a molecular genetic linkage map, and the two closest markers were T1590 and T1581, indicating the resistance gene located in the 155 kb genetic region. After analyzing the sequence of the predicted gene in the genetic region, an ATP binding cassette transporter (ABCC2) was identified as the candidate gene. Molecular modeling and protein–protein docking result showed that a tyrosine insertion in the mutant ABCC2 might be responsible for the interaction between Cry1Ac and ABCC2. Moreover, CRISPR/Cas9‐mediated genome editing technology was used to knockoutABCC2gene. The homozygous mutantABCC2silkworm was resistant to Cry1Ac toxin, which indicatedABCC2is the key gene that controls silkworm resistance to Cry1Ac toxin. The results have laid the foundation for elucidating the molecular resistance mechanism of silkworms to Cry1Ac toxin and could provide a theoretical basis for the biological control of lepidopteran pests.
Inhibition constant and stability of tripeptide inhibitors of gut trypsin‐like enzyme of the soybean pest Anticarsia gemmatalis
Authors: de Almeida Barros Rafael , Meriño‐Cabrera Yaremis , Severiche Castro José G. , Rodrigues da Silva Júnior Neilier , Schultz Halina , de Andrade Rafael J. , Aguilar de Oliveira João V. , de Oliveira Ramos Humberto J. , de Almeida Oliveira Maria G.
Published: March 2022

Insects overcome the action of natural protease inhibitors (PIs) due to evolutionary adaptations through endogenous proteolysis and reprogramming proteases. Insect adaptations complicate the formulation of IP‐based crop protection products. However, small peptides designed based on the active site of enzymes have shown promising results that could change this scenario. GORE1 and GORE2 are designed tripeptides that reduce the survival of Anticarsia gemmatalis when ingested orally. In this article, the stability and ability of the peptides to bind trypsin‐like enzymes of A. gemmatalis were evaluated by molecular dynamics (MD) simulations. The ability of the peptides to inhibit trypsin‐like enzymes in vivo was compared with the SKTI protein by feeding A. gemmatalis larvae at different concentrations, followed by an inhibition persistence assay. During the MD simulation of enzyme–ligand complexes, both peptides showed a small variation of root‐mean‐square deviation and root‐mean‐square fluctuation, suggesting that these molecules reach equilibrium when forming a complex with the trypsin‐like enzyme. Furthermore, both peptides form hydrogen bonds with substrate recognition sites of A. gemmatalis trypsin‐like enzyme, with GORE2 having more interactions than GORE1. Larvae of A. gemmatalis exposed to the peptides and SKTI showed a similar reduction in proteolytic activity, but the persistence of inhibition of trypsin‐like enzyme was longer in peptide‐fed insects. Despite their size, the peptides exhibit important active and substrate binding site interactions, stability during complex formation, and steadiness effects in vivo. The results provide fundamental information for the development of mimetic molecules and help in decision‐making for the selection of delivery methods for larger‐scale experiments regarding similar molecules.
Metalloceneincorporated Hybrid Singly N‐Methyl N‐Confused Calixphyrins: Synthesis, Characterization, Protonation and Deprotonation Studies
Authors: Halder Nyancy , Jana Manik , Kottekad Sanjay , Usharani Dandamudi , Rath Harapriya
Published: March 2022

Rational design and isolation of two hitherto unknown highly stable single conformer of ferrocene incorporated meso‐aryl substituted singly N‐methyl N‐confused‐calixphyrins have been achieved in quantitative yields. The solid‐state crystal structure reveals the obvious trans‐geometry for the meso‐protons with the possibility for both the macrocycles to exist either racemic or enantiomer forms. However, thorough solution‐state spectroscopic characterization strongly concludes the experimental isolation of a single isomer for both the macrocycles. The drastic modification of UV‐vis spectral patterns upon imine pyrrole N protonation and amine pyrrole NH deprotonation of both the calixphyrins could pave way for these macrocycles to act as opto‐electronic materials. The conformational preorganization and protonation and deprotonation induced conformational reorganization have been extensively studied by solution state spectroscopic techniques, solid state X‐ray crystal structure and in depth DFT level theoretical calculations.
Kreislaufeffektive Bauwende – Auf dem Weg zu einer neuen Tektonik
Authors: Graf Jürgen , Birk Stephan , Poteschkin Viktor , Braun Yannick
Published: March 2022

Europa strebt bis 2050 an, klimaneutral zu sein. Für die Bauwirtschaft bedeutet dies neben der Reduzierung von klimaschädlicher Energie während der Gebäudenutzung v. a. die Reduzierung des Ressourcenverbrauchs und der grauen Emissionen bei der Herstellung und dem Abriss von Gebäuden. Die Umsetzung kann durch eine kreislaufeffektive Bauwende gelingen, wobei der Holzbau eine zentrale Rolle einnehmen wird. Hierzu bedarf es einer auf Elementierung, Standardisierung und Reversibilität gestützten andersartigen Tektonik, innovativer Architekturansätze und einer neuen Baukultur. Jetzt braucht es einen politisch initiierten Wandel in der Bauwirtschaft, parallel müssen Planer:innen einen Paradigmenwechsel vollziehen.
A Quasi‐Multinary Composite Coating on a Nickel‐Rich NCM Cathode Material for All‐Solid‐State Batteries
Authors: Kitsche David , Strauss Florian , Tang Yushu , Bartnick Nikolai , Kim A‐Young , Ma Yuan , Kübel Christian , Janek Jürgen , Brezesinski Torsten
Published: March 2022

Inorganic solid‐state batteries are attracting significant interest as a contender to conventional liquid electrolyte‐based lithium‐ion batteries but still suffer from several limitations. The search for advanced coatings for protecting cathode materials in solid‐state batteries to achieve interfacial stability is a continuing challenge. In the present work, the surface of an industrially relevant Ni‐rich LiNixCoyMnzO2 cathode material, NCM‐851005 (85 % Ni), was modified by applying a coating containing Li, Nb and Zn, aiming at a composition Li6ZnNb4O14, by means of sol‐gel chemistry. Detailed characterization using scanning transmission electron microscopy combined with energy‐dispersive X‐ray spectroscopy and nano‐beam electron diffraction showed that the surface layer after heating in O2 at 500 °C contains Li3NbO4 nanocrystals and Li2CO3, with Zn presumably acting as a dopant. The protective coating on the NCM‐851005 secondary particles significantly increased the cycling performance (reversible capacity, rate capability etc.) and stability of full cells using argyrodite Li6PS5Cl as solid electrolyte. Interestingly, the level of improvement is superior to that achieved with conventional LiNbO3 coatings.
Epidemiology of body dysmorphic disorder among adolescents: A study of their cognitive functions
Authors: Rajabi Soran , Kamran Leila , Joukar KamalAbadi Mahnaz
Published: March 2022

Background

Body dysmorphic disorder (BDD) is characterized by a preoccupation with an imagined defect in one's appearance. In case of a slight physical anomaly, the person would experience an excessive concern. This disorder causes cognitive dysfunction.

Purpose

The aim of this study was to examine epidemiology of body dysmorphic disorder among students at secondary schools of the first and second stage in Shiraz, Iran. It also compares executive functions in students with BDD to healthy students.

Methods

The Body Dysmorphic Disorder Questionnaire (BDDQ), Stroop Color and Word Test (SCWT),Wisconsin Card Sorting Test (WCST), Tower of London test (ToL), and Trail Making Test (TMT) were measured in participants with BDD (N = 52;Mage = 16.20;SD = 1.03) and healthy control group (N = 52;Mage = 15.91;SD = 0.96).

Results

The frequency of BDD was significantly higher in women than men (14.8% vs. 6.8%), and its prevalence was 10.4% in total. There was a significant difference between the two groups of students concerning attentional set‐shifting, inhibition of cognitive interference, visual‐spatial searching, and sequencing, but not problem‐solving tasks.

Conclusions

Students with BDD have cognitive deficits, which need to be addressed in cognitive rehabilitation.
Assessment of the acetabular version in relation to sagittal sacropelvic parameters
Authors: Baker Joseph F. , Robertson Peter A.
Published: March 2022

The relationship between acetabular orientation and the sacropelvic parameters is of interest to both hip and spine surgeons as it is increasingly clear disease in one area can affect the other, including the outcome of surgical procedures. The aim of this study was to further clarify the relationship between measures of acetabular orientation and sacropelvic parameters. This study utilized a trauma CT database. A total of 100 scans on adult patients without overt hip or spinal disease were included. Measures of acetabular orientation included the acetabular sagittal angle (ASA) which uses the anterior pelvic plane as a reference and sacroacetabular angle which uses the sacral endplate as a reference (SA); spinopelvic parameters include the pelvic incidence (PI), sacral anatomic orientation (SAO) and pelvic thickness (PTH). Mean age 48.2 years (SD 18.0), 62% male. Mean values were: PI 50.5, SAO 50.7, PTH 106.4 mm, ASA‐right 62.1, ASA‐left 64.0, SA‐right 67.2, and SA‐left 65.4. There was substantial correlation between PI and SA (r = 0.628–0.630) and also between SAO and SA (−0.657 to −0.692). Liner regression determined SA was best predicted by the model: SA = 81 × SAO + 0.36 × PI. When using the anterior pelvic plane as a reference to define acetabular orientation, there does not appear to be any significant relationship between the sagittal orientation of the acetabulum and sacropelvic parameters. Using the sacrum as a common point of reference allows some further understanding of the interplay between pelvic parameters and the orientation of the acetabulum.
Distance education students’ structured query language achievements and attitudes toward web‐based instruction: Second Life versus the Enocta learning management system/adobe connect
Authors: Ozonur Mesut , Sancar‐Tokmak Hatice , Yanpar‐Yelken Tugba
Published: March 2022

This study aimed to investigate the effects of instruction offered via different learning environments Second Life (SL) as a 3D world versus Enocta learning management system (LMS)/Adobe Connect Pro as a web‐based environment on distance education students’ academic achievement related to structured query language (SQL) and attitudes toward web‐based instruction. The study used the embedded experimental model. A total of 60 distance education students participated in the study. Based on their pretest academic achievement scores, 30 students were assigned to the experimental group who took the SL class while 30 were assigned to the control group who took the Enocta LMS/Adobe Connect Pro class. The same instructor taught the same course, Database 211, using the same instructional methods and materials but different learning environments (SL for the experimental group and Enocta LMS/Adobe Connect Pro for the control group). The data were collected using the web‐based instruction attitude scale, an academic achievement test on database and SQL, in addition to an open‐ended questionnaire. The results showed that there was no statistically significant difference between the experimental and control groups in terms of academic achievement. However, in terms of attitudes toward web‐based instruction, a statistically significant difference was found between the experimental and control groups in favor of the experimental group.
Understanding modulations of lipid mediators in cancer using a murine model of carcinomatous peritonitis
Authors: Kurano Makoto , Sakai Eri , Yatomi Yutaka
Published: March 2022

Background

Numerous studies have investigated the possible involvement of eicosanoids, lysophospholipids, and sphingolipids in cancer. We considered that comprehensive measurement of these lipid mediators might provide a better understanding of their involvement in the pathogenesis of cancer. In the present study, we attempted to elucidate the modulations of sphingolipids, lysophospholipids, diacyl‐phospholipids, eicosanoids, and related mediators in cancer by measuring their levels simultaneously by a liquid chromatography‐mass spectrometry method in a mouse model of carcinomatous peritonitis.

Methods

We investigated the modulations of these lipids in both ascitic fluid and plasma specimens obtained from Balb/c mice injected intraperitoneally with Colon‐26 cells, as well as the modulations of the lipid contents in the cancer cells obtained from the tumor xenografts.

Results

The results were as follows: the levels of sphingosine 1‐phosphate were increased, while those of lysophosphatidic acid (LysoPA), especially unsaturated long‐chain LysoPA, tended to be increased, in the ascitic fluid. Our findings suggested that ceramides, sphingomyelin, and phosphatidylcholine, their precursors, were supplied by both de novo synthesis and from elsewhere in the body. The levels of lysophosphatidylserine (LysoPS), lysophosphatidylinositol, lysophosphatidylglycerol, and lysophosphatidylethanolamine were also increased in the ascitic fluid, while those of phosphatidylserine (PS), a precursor of LysoPS, were markedly decreased. The levels of arachidonic acid derivatives, especially PGE2‐related metabolites, were increased, while the plasma levels of eicosanoids and related mediators were decreased. Comprehensive statistical analyses mainly identified PS in the ascitic fluid and eicosanoids in the plasma as having highly negative predictive values for cancer.

Conclusions

The results proposed many unknown associations of lipid mediators with cancer, underscoring the need for further studies. In particular, the PS/LysoPS pathway could be a novel therapeutic target, and plasma eicosanoids could be useful biomarkers for cancer.
Spasmolytic, Gastroprotective and Antioxidant Activities of Dry Methanol Extract of Ferula heuffelii Underground Parts
Authors: Pavlović Ivan , Radenković Mirjana , Branković Suzana , Milenković Marina T. , Niketić Marjan , Ušjak Ljuboš , Petrović Silvana
Published: March 2022

Dry MeOH extract of Ferula heuffelii (Apiaceae) underground parts was tested for spasmolytic, gastroprotective and antioxidant activities. HPLC analysis revealed that chlorogenic acid (CGA; 34.6 mg/g) was its main constituent. Extract in vitro exhibited notable total antioxidant activity (FRAP value=1.0 μmol Fe2+/mg), and scavenging of DPPH (SC50=62.5 μg/ml) and •OH radicals (49.5 % at 20 μg/ml in 2‐deoxyribose assay). In vitro on isolated rat ileum, extract exhibited significant spasmolytic activity, i. e., it showed 124.6 % of maximal atropine effect on spontaneous contractions (at 100 μg/ml), and reduced spasmogenic effect of KCl (80 mm) to 44.4 % (at 60 μg/ml) and of highest applied concentration of ACh to 26.3 % (at 120 μg/ml). In parallel experiments, spasmolytic effect of CGA was also demonstrated. In acute EtOH‐induced gastric ulceration model in rats, extract (100 mg/kg p.o.) showed significant gastroprotective effect (gastric damage score 0.50), similar to ranitidine (20 mg/kg p.o.). Obtained results showed that tested F. heuffelii polar extract represents new herbal preparation with potential use against some gastrointestinal complaints.
Effect of hybridization on lipophosphoglycan expression in Leishmania major
Authors: Silveira Karine R. D. , Nogueira Paula M. , Soares Rodrigo P.
Published: March 2022

Leishmania major is the causative agent of cutaneous leishmaniasis. It is one of the most studied Leishmania species not only during vector interaction but also in the vertebrate host. Lipophosphoglycan (LPG) is the Leishmania multifunctional virulence factor during host–parasite interaction, whose polymorphisms are involved in the immunopathology of leishmaniasis. Although natural hybrids occur in nature, hybridization of L. major strains in the laboratory was successfully demonstrated. However, LPG expression in the hybrids remains unknown. LPGs from parental (Friedlin, Fn and Seidman, Sd) and hybrids (FnSd3, FnSd4A, FnSd4B, and FnSd6F) were extracted, purified, and their repeat units analyzed by immunoblotting and fluorophore‐assisted carbohydrate electrophoresis. Parental strains have distinct profiles in LPG expression, and a mixed profile was observed for all hybrids. Variable levels of NO production by macrophages were detected after LPG exposure (parental and hybrids) and were strain specific.
The Influence of UiO‐66 Metal–Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers
Authors: Sławek Andrzej , Jajko Gabriela , Ogorzały Karolina , Dubbeldam David , Vlugt Thijs J. H. , Makowski Wacław
Published: March 2022

In this work, adsorption properties of the UiO‐66 metal–organic framework were investigated, with particular emphasis on the influence of structural defects. A series of UiO‐66 samples were synthesized and characterized using a wide range of experimental techniques. Type I adsorption isotherms for low‐temperature adsorption of N2 and Ar showed that micropore volume and specific surface area significantly increase with the number of defects. Adsorption of hexane isomers in UiO‐66 was studied by means of quasi‐equilibrated temperature‐programmed desorption and adsorption (QE‐TPDA) experimental and Monte Carlo simulation techniques. QE‐TPDA profiles revealed that only defect‐free UiO‐66 exhibits distinct two adsorption states. This technique also yielded high‐quality adsorption isobars that were successfully recreated using Grand‐Canonical Monte Carlo molecular simulations, which, however, required refinement of the existing force fields. The calculations demonstrated the detailed mechanism of adsorption and separation of hexane isomers in the UiO‐66 structure. The preferred tetrahedral cages provide suitable voids for bulky molecules, which is the reason for unusual “reverse” selectivity of UiO‐66 towards di‐branched alkanes. Interconnection of the tetrahedral cavities due to missing organic linkers greatly reduces the selectivity of the defected material.
Left atrial reservoir strain is an outstanding predictor of adverse cardiovascular outcomes in patients undergoing maintenance hemodialysis: Assessment via three‐dimensional speckle tracking echocardiography
Authors: Sun Minmin , Xing Yumeng , Guo Yao , Cao Xuesen , Nie Yuxin , Shu Xianhong
Published: March 2022

Background

There is a paucity of literature focusing left atrium (LA) in patients undergoing maintenance hemodialysis (MHD).

Hypothesis

We used three‐dimensional speckle tracking echocardiography (3DSTE) to evaluate LA in MHD patients and to explore its predictive value for adverse outcomes.

Methods

Echocardiography was performed on 130 consecutively enrolled MHD patients without previous cardiac diseases. Conventional and 3DSTE parameters of LA were obtained. The MHD cohort was then followed and the end point was major adverse cardiovascular events (MACEs). LA strain indices, including reservoir strain (LASr), conduit strain (LAScd), and contractile strain (LASct), were measured and compared between patients with and without MACEs.

Results

Patients were prospectively followed up for a median of 40.5 (interquartile range: 26.3–48.0) months. During follow‐up, 43 patients met the end point. These patients had larger LA size and reduced LA strains (LA maximal volume indexed: 45.1 ± 11.9 vs. 33.8 ± 6.9ml/m2; LASr: 20.2 ± 3.5 vs. 27.2 ± 3.3%; LAScd: −12.3 ± 5.2 vs. −14.5±4.0%; LASct: −8.0 ± 4.2 vs. −13.2 ± 3.7%; all p<.05), compared with those without MACEs. Multivariable regression analysis showed LASr was the strongest predictor of MACEs (hazard ratio, 0.69; 95% confidence interval, 0.54–0.89; p=.004). Univarite Kaplan–Meier analysis revealed the incidence of MACEs in the impaired LASr (<24.2%) group was significantly higher than in the normal LASr group (log rank p<.001).

Conclusions

LASr derived from 3DSTE is an independent predictor of MACEs and cardiac death in MHD patients, superior to LV parameters and LA volume indices.
Effect of positive airway pressure on cardiac troponins in patients with sleep‐disordered breathing: A meta‐analysis
Authors: Wu Li‐Hua , Hong Cai‐Xia , Zhao Zhi‐Wei , Huang Yan‐Fei , Li Huo‐Yu , Cai Hong‐Ling , Gao Zhi‐Sen , Wu Zhi
Published: March 2022

Background

Cardiac troponins are highly sensitive and specific biomarkers for cardiac injury. Previous studies evaluating the effect of positive airway pressure (PAP) on cardiac troponins in patients with sleep‐disordered breathing (SDB) have yielded conflicting results. The meta‐analysis was performed to examine the effect of PAP on cardiac troponins in SDB patients.

Methods

PubMed, Web of Science, and EMBASE before September 2021 on original English language studies were searched. The data on cardiac troponins in both baseline and post‐PAP treatment were extracted from all studies. The data on the change of cardiac troponins in both PAP and control group were extracted from randomized controlled trials. Standardized mean difference (SMD) was used to synthesize quantitative results.

Results

A total of 11 studies were included. PAP treatment was not associated with a significant change in cardiac troponin T between the baseline and post‐PAP treatment (SMD = −0.163, 95% confidence interval [CI] = −0.652 to 0.326, z = 0.65, p = .514). The pooled estimate of SMD of cardiac troponin I between the pre‐ and post‐PAP treatment was 0.287, and the 95% CI was −0.586 to 1.160 (z = 0.64, p = .519). The pooled SMD of change of cardiac troponin T between the PAP group and control group was −0.473 (95% CI = −1.198 to 0.252, z = 1.28, p = .201).

Conclusions

This meta‐analysis revealed that PAP treatment was not associated with any change of cardiac troponin in SDB patients.