bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractOligomeric 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

AbstractThe 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

AbstractThe 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

AbstractThe 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

AbstractThe 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.
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

AbstractHexakis(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

AbstractThe 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

AbstractBt 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

AbstractInsects 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

AbstractRational 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

AbstractEuropa 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

AbstractInorganic 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

AbstractBackgroundBody 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.PurposeThe 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.MethodsThe 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).ResultsThe 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.ConclusionsStudents 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

AbstractThe 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

AbstractThis 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

AbstractBackgroundNumerous 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.MethodsWe 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.ResultsThe 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.ConclusionsThe 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.