bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fabrication of Pascal‐triangle Lattice of Proteins by Inducing Ligand Strategy
Authors: Liu Rongying , Kochovski Zdravko , Li Long , Yin Yue‐wen , Yang Jing , Yang Guang , Tao Guoqing , Xu Anqiu , Zhang Ensong , Ding Hong‐ming , Lu Yan , Chen Guosong , Jiang Ming 
Published: March 2020

AbstractA protein Pascal triangle has been constructed as new type of supramolecular architecture by using the inducing ligand strategy that we previously developed for protein assemblies. Although mathematical studies on this famous geometry have a long history, no work on such Pascal triangles fabricated from native proteins has been reported so far due to their structural complexity. In this work, by carefully tuning the specific interactions between the native protein building block WGA and the inducing ligand R‐SL, a 2D Pascal‐triangle lattice with three types of triangular voids has been assembled. Moreover, a 3D crystal structure was obtained based on the 2D Pascal triangles. The distinctive carbohydrate binding sites of WGA and the intralayer as well as interlayer dimerization of RhB was the key to facilitate nanofabrication in solution. This strategy may be applied to prepare and explore various sophisticated assemblies based on native proteins.
CYP505E3: A Novel Self‐Sufficient ω‐7 In‐Chain Hydroxylase
Authors: Maseme Mpeyake Jacob , Pennec Alizé , van Marwijk Jacqueline , Opperman Diederik Johannes , Smit Martha Sophia 
Published: March 2020

AbstractThe self‐sufficient cytochrome P450 monooxygenase CYP505E3 from Aspergillus terreus catalyzes the regioselective in‐chain hydroxylation of alkanes, fatty alcohols, and fatty acids at the ω‐7 position. It is the first reported P450 to give regioselective in‐chain ω‐7 hydroxylation of C10–C16 n‐alkanes, thereby enabling the one step biocatalytic synthesis of rare alcohols such as 5‐dodecanol and 7‐tetradecanol. It shows more than 70 % regioselectivity for the eighth carbon from one methyl terminus, and displays remarkably high activity towards decane (TTN≈8000) and dodecane (TTN≈2000). CYP505E3 can be used to synthesize the high‐value flavour compound δ‐dodecalactone via two routes: 1) conversion of dodecanoic acid into 5‐hydroxydodecanoic acid (24 % regioselectivity), which at low pH lactonises to δ‐dodecalactone, and 2) conversion of 1‐dodecanol into 1,5‐dodecanediol (55 % regioselectivity), which can be converted into δ‐dodecalactone by horse liver alcohol dehydrogenase.
Cellular AND Gates: Synergistic Recognition to Boost Selective Uptake of Polymeric Nanoassemblies
Authors: Gao Jingjing , Wu Peidong , Fernandez Ann , Zhuang Jiaming , Thayumanavan S. 
Published: March 2020

AbstractThe development of nanoparticle‐based biomedical applications has been hampered due to undesired off‐target effects. Herein, we outline a cellular AND gate to enhance uptake selectivity, in which a nanoassembly–cell interaction is turned on, only in the concurrent presence of two different protein functions, an enzymatic reaction (alkaline phosphatase, ALP) and a ligand–protein (carbonic anhydrase IX, CA IX) binding event. Selective uptake of nanoassemblies was observed in cells that overexpress both of these proteins (unicellular AND gate). Interestingly, selective uptake can also be achieved in CA IX overexpressed cells, when cocultured with ALP overexpressed cells, where the nanoassembly presumably acts as a mediator for cell–cell communication (bicellular AND gate). This logic‐gated cellular uptake could find use in applications such as tumor imaging or theranostics.
The interplay between the fragility and mechanical properties of styrene–butadiene rubber composites with unmodified and modified sago seed shell powder
Authors: Jinitha Thulissery Velayudhan , Safna Hussan Kodakkat Parambil , Mohamed Shahin Thayyil , Purushothaman Etathil 
Published: March 2020

AbstractReinforcing rubber with natural fillers from agrarian wastes is a new area of interest in developing rubber composite technologies. Lignocellulosic material from sago seed shell is one of the important promising natural fillers having 37% cellulose used to reinforce styrene–butadiene rubber (SBR) for enhancing its mechanical properties. Moreover, chemically or physically modified natural fillers play a significant role in enhancing the properties of SBR like morphological, thermal, and electrical characteristics. In this investigation, the changes encountered in molecular mobility, glassy dynamics, thermal stability, flexibility, and tensile strength of SBR on reinforcing with unmodified and modified sago seed shell powder were studied using broadband dielectric spectroscopy (BDS) in conjunction with thermogravimetric analysis, and mechanical properties. BDS has been successfully employed to investigate the relaxation phenomena and glass/rubbery transition in SBR, as well as its composites with unmodified and modified sago seed shell powder over the frequency (10−1 to 107 Hz) and wide temperature range (−100 to 150°C). Experimental data were analyzed in terms of electric modulus formalism and were suited well with the Havriliak Nigami equation. The incorporation of filler and its nature (unmodified or modified it with polyaniline, PANI) greatly influenced the morphological pattern, miscibility, and mode of interaction with the rubber matrix of SBR, which owed a path to diverse charge transport mechanism in the composites. The mechanical properties of all the composites were in good correlation with the steepness index obtained from BDS. The tensile strength, tear strength, and hardness of SBR increased slightly on loading with unmodified cellulose, whereas with modified cellulose causes substantial enhancement in its tensile strength.
Control charts based on randomized quantile residuals
Authors: Park Kayoung , Jung Dongmin , Kim Jong‐Min 
Published: March 2020

AbstractIn practice, quality characteristics do not always follow a normal distribution, and quality control processes sometimes generate non‐normal response outcomes, including continuous non‐normal data and discrete count data. Thus, achieving better results in such situations requires a new control chart derived from various types of response variables. This study proposes a procedure for monitoring response variables that uses control charts based on randomized quantile residuals obtained from a fitted regression model. Simulation studies demonstrate the performance of the proposed control charts under various situations. We illustrate the procedure using two real‐data examples, based on normal and negative binomial regression models, respectively. The simulation and real‐data results support our proposed procedure.
Spectrum‐effect relationship between fingerprints and hemopoietic effects of small molecular fraction of Polygoni Multiflori radix praeparata
Authors: Wang JunXing , Fan LuoDi , Hu MingHua , Ma FangLi , Qi Jin 
Published: March 2020

AbstractPolygoni multiflori Radix Praeparata (PMRP) is a traditional medicine used for nourishing essence and blood in China. However, it is unclear which PMRP compounds are responsible for its hematopoietic effect. In this study, spectrum‐effect relationship was used to discovery potential hematopoietic compounds. The fingerprints of 20 PMRP batches were established by HPLC and the hematopoietic effect was determined using red blood cell, hemoglobin, hematocrit, and platelet indexes in aplastic anemia model mice. The spectrum‐effect relationship between common peaks and hematopoietic efficacy values was established using gray relational analysis and partial least squares analysis. Spectrum‐effect relationship results showed that peaks 21 (emodin‐8‐O‐(6´‐O‐acetyl)‐β‐D‐glucoside), 15 (2, 3, 5, 4′‐tetrahydroxystilbene‐2‐O‐di‐glucoside), 16 (cis‐2,3,5,4′‐tetrahydroxy‐stilbene‐2‐O‐β‐D‐glucoside), 11 (unknown), 20(unknown, 12 (epicatechin), 29 (carboxyl emodin), and 31 (emodin) in the fingerprints were closely related to the hematopoietic effect. This work successfully established the spectrum‐effect relationship between PMRP hematopoietic effect and its fingerprints, which can be used to explain the material basis for the PMRP hematopoietic effect.
Optically Triggered Control of the Charge Carrier Density in Chemically Functionalized Graphene Field Effect Transistors
Authors: Tang Zian , George Antony , Winter Andreas , Kaiser David , Neumann Christof , Weimann Thomas , Turchanin Andrey 
Published: March 2020

AbstractField effect transistors (FETs) based on 2D materials are of great interest for applications in ultrathin electronic and sensing devices. Here we demonstrate the possibility to add optical switchability to graphene FETs (GFET) by functionalizing the graphene channel with optically switchable azobenzene molecules. The azobenzene molecules were incorporated to the GFET channel by building a van der Waals heterostructure with a carbon nanomembrane (CNM), which is used as a molecular interposer to attach the azobenzene molecules. Under exposure with 365 nm and 455 nm light, azobenzene molecules transition between cis and trans molecular conformations, respectively, resulting in a switching of the molecular dipole moment. Thus, the effective electric field acting on the GFET channel is tuned by optical stimulation and the carrier density is modulated.
Room‐Temperature Phosphorescent Platinum(II) Alkynyls with Microsecond Lifetimes Bearing a Strong‐Field Pincer Ligand
Authors: Liska Tadeas , Swetz Anna , Lai Po‐Ni , Zeller Matthias , Teets Thomas S. , Gray Thomas G. 
Published: March 2020

AbstractThe use of organometallic triplet emitters in organic light emitting diodes (OLEDs) is motivated by the premise of efficient intersystem crossing leading to unit internal quantum efficiencies. However, since most devices are based on solid‐state components, an inherent limitation to square‐planar platinum(II) phosphors is their tendency toward aggregation‐based quenching. Here, a new class of emissive, four‐coordinate PtII species based on the bisimidazolyl carbazolide (BIMCA) ligand is introduced, which displays highly efficient, long‐lived solid‐state phosphorescence at room temperature. A set of four BIMCAPt phenyl acetylides were synthesized that emit in the green (λmax=507–540 nm) with >60 % quantum yield and millisecond lifetimes. The structures of the resulting species reveal a non‐planar structure imposed by steric clashes between BIMCA and the iodo or alkynyl co‐ligand. Ground‐state and photophysical characterization are presented. Density functional theory calculations indicate that the BIMCA ligand dominates the frontier orbitals along with the first Franck–Condon singlet and triplet excited states.
C−F Arylation of Polyfluorophenols by Means of Sigmatropic Dearomatization/Defluorination Sequence
Authors: Okamoto Koichi , Nogi Keisuke , Shimokawa Jun , Yorimitsu Hideki 
Published: March 2020

AbstractSelective C−F arylation of polyfluorophenols with aryl sulfoxides has been accomplished by means of a sigmatropic dearomatization/defluorination sequence. This sequence consists of three processes: 1) interrupted Pummerer reaction to form S−O‐tethered sulfonium salt; 2) C−C‐forming [3,3] sigmatropic rearrangement with dearomatization; and 3) Zn‐mediated defluorinative rearomatization. The present biaryl construction provides a facile access to polyfluorinated biaryls that is difficult to synthesize by other methods. The synthetic utility of the strategy is clearly demonstrated by the synthesis of a fluorinated analogue of Maxipost, a potassium channel modulator.
Estimation of heterosis and combining abilities of U.S. winter wheat germplasm for hybrid development in Texas
Authors: Adhikari Anil , Ibrahim Amir M.H , Rudd Jackie C. , Baenziger P. Stephen , Sarazin Jean‐Benoit 
Published: March 2020

AbstractHybrid wheat (Triticum aestivum L.) offers promises to break the yield stagnation in global wheat productivity as a result of heterosis. But, for this promise to be realized, the level of heterosis must be adequate. To test this, elite winter wheat lines from the breeding programs of the University of Nebraska–Lincoln (UNL) and Texas A&M University (TAMU) were crossed in a 25‐by‐25 full‐diallel design using a chemical hybridizing agent (CHA) to produce experimental hybrids. These hybrids were planted in a modified augmented design with commercial checks and parents at McGregor, TX, in 2016 (n = 612) and Greenville and Bushland, TX, in 2017 (n = 470) to evaluate for yield heterosis and combining ability. A subset of hybrids (n = 333) were repeated between years. The effect of field heterogeneity in grain yield was corrected by spatial modelling in ASReml‐R. Commercial heterosis ranged from −78.3 to 20.4% in 2016 and −32.9 to 6.2% in 2017. High‐parent heterosis (HPH) ranged from −70.4 to 54.3% in 2016 and −26.9 to 29.2% in 2017. General combining ability (GCA) variance was significantly higher than zero, whereas specific combining ability (SCA) variance was not. Significant maternal effect was identified in some crosses tested by computing reciprocal effects between crosses and estimating variances. This indicates that most of the heterosis is due to additive rather than dominance effect. These results suggest exploitation of GCA for higher yield while underscoring the need for development of heterotic pools to maximize SCA and dominance effects.
Gene mapping and candidate gene analysis ofmulti‐grains 1(Mg1) in rice
Authors: Zhang Ting , You Jing , Zeng Xiaoqin , Yu Guoling , Zhang Yi , Li Yidan , Ye Li , Yao Wanyue , Tu Yujie , Ling Yinghua , Yao Hesheng , He Guanghua , Li Yunfeng 
Published: March 2020

AbstractAs the basic unit of rice (Oryza sativaL.) inflorescence, the spikelet has a profound influence on grain size, weight, and yield. However, the molecular mechanism that underlies the development of spikelets has never been fully elucidated. In this study, we characterized a rice spikelet mutant,multi‐grains 1(mg1), which was derived from treatment of ‘Xinong 1B’ with ethyl methanesulfonate. In themg1mutant, the spikelet developed two florets with an extra lemma‐like organ and an increased number of inner floral organs. Notably, the spikelet could produce multi‐grains. These phenotypes reflect the considerable potential of usingmg1as a means of increasing rice yield. Genetic analysis revealed that themg1phenotype is controlled by a single recessive gene. TheMG1gene was mapped to the interval between simple sequence repeat (SSR) markers RM20754 and RM494 on chromosome 6 within a physical region of 121.57 kb. Sequencing analysis identified a single‐nucleotide substitution from G to A withinOs06g0717200(which corresponds toFLORAL ORGAN NUMBER 1[FON1]), causing an amino acid mutation of Gly‐869 to Asp‐869 in themg1mutant. This finding suggests thatMG1may be a novel allele ofFON1.MG1is involved in the development of spikelet determinacy and floral organs by regulating the expression of genes associated with these characteristics. The present results detail a novel function ofMG1, which may facilitate the breeding of rice cultivars with increased numbers of grains per panicle.
Toward best practice methods for delirium biomarker studies: An international modified Delphi study
Authors: Amgarth‐Duff Ingrid , Hosie Annmarie , Caplan Gideon , Agar Meera 
Published: March 2020

BackgroundDelirium is a serious and distressing neurocognitive condition common in people with advanced illness. The understanding of delirium pathophysiology is limited and largely hypothetical. To accelerate empirical understanding of delirium pathophysiology, robust scientific methods for conducting and reporting delirium biomarker studies are urgently needed. The aim of this study was to develop international consensus on the core elements of high‐quality delirium biomarker studies.MethodsA three‐round modified Delphi survey was conducted from February to August 2019. Participants were international researchers experienced in conducting delirium studies from a range of settings (hospital, university, research centres). Round one commenced with open‐ended questions developed from results from a prior systematic review and the REMARK (REporting recommendations for tumour MARKer prognostic studies) checklist. Responses were qualitatively analysed, and closed statements were developed. Participants then ranked the importance of these statements using a 5‐point Likert scale in rounds 2 and 3. A priori consensus was defined as ≥70% participant agreement. Descriptive statistics for each item were computed including the mean Likert scores, SD and median participant scores.ResultsTwenty‐eight participants completed survey round one, 16 completed round two and 19 completed the final round. Consensus was achieved for a total of 60 items.ConclusionThe Delphi survey identified items that expert researchers agreed were important in the conduct of delirium biomarker studies. These reporting items provide a strong platform for improved methodological quality and opportunities to synthesise future delirium biomarker studies.
Real‐world treatment patterns for patients with metastatic head and neck squamous cell carcinoma treated with immuno‐oncology therapy
Authors: Mehra Ranee , Huang Huan , Seal Brian , Tse Jenny , Shenolikar Rahul A. , Burudpakdee Chakkarin 
Published: March 2020

AbstractBackgroundReal‐world use of immuno‐oncology (IO) therapies (nivolumab and pembrolizumab) in metastatic head and neck squamous cell carcinoma (mHNSCC) has not been well studied.MethodsmHNSCC patients treated with an IO therapy were identified from a large US claims database from 2016 to 2017. Treatment patterns before and after initiation of IO therapy (index date) were described.ResultsAmong 416 mHNSCC patients, 85% had ≥1 regimen prior to IO therapy. Ninety‐seven percent of patients initiated IO as monotherapy and 3% initiated IO combined with another systemic treatment. One hundred seventeen (28%) patients had a subsequent regimen, usually chemotherapy (n = 58, 50%) or IO monotherapy (n = 27, 23%), of which 22 patients restarted the same IO therapy and 5 switched to another IO monotherapy.ConclusionThe majority of mHNSCC patients initiated IO as a monotherapy. Approximately half of patients with a subsequent regimen received chemotherapy and one‐fourth received IO monotherapy.
HE4 tumor marker as a predictive factor for lymphatic metastasis in endometrial cancer
Authors: Espiau Romera Andrea , Cuesta Guardiola Tatiana , Benito Vielba Marta , De Bonrostro Torralba Carlos , Coronado Martín Pluvio J. , Baquedano Mainar Laura 
Published: March 2020

AbstractEndometrial cancer is the most common genital cancer in high‐resource countries. Treatment is essentially surgical, but the role of lymphadenectomy in the treatment of low‐stage and low‐grade tumors has not been defined. Although no tumor factors have been validated for use as preoperative prognostic markers of endometrial cancer at yet, human epididymis protein 4 (HE4) has received much interest as a potential diagnostic and prognostic tumor marker. Since 2008, several studies have explored its utility in the management of endometrial cancer: HE4 may be a useful preoperative prognostic marker because it is associated with lymphatic metastasis and other unfavorable factors in endometrial cancer. In addition, some studies have explored a HE4 cutoff value to classify patients according to lymph node involvement. HE4 might be beneficial as a serum marker that helps clinicians in the decision‐making algorithm for treatment of endometrial cancer, enabling them to perform individualized operations and decrease the adverse effects of unnecessary surgery.
Simultaneous determination of gastric cancer biomarkers pepsinogen PGI/PGII using element tagged immunoassay coupled with inductively coupled plasma mass spectrometry detection
Authors: Jiang Wencan , Sun Gongwei , Zhang Yuqing , Hu Zhian , Wen Xinyu , Men Shasha , Xing Zhi , Zhang Sichun , Huang Biao , Wang Chengbin 
Published: March 2020

AbstractObjectivesIn this study, a new immunoassay for the simultaneous determination of pepsinogen I (PGI) and pepsinogen II (PGII) in serum based on element labeling strategy coupled with inductively coupled plasma mass spectrometry (ICP‐MS) detection was proposed.MethodsThe sandwich‐type immunoassay was used to simultaneously detect PGI and PGII in serum. PGI and PGII were captured by anti‐PGI and anti‐PGII antibody immobilized on the magnetic beads and then banded with Eu3+ labeled anti‐PGI detection antibody and Sm3+ labeled anti‐PGII detection antibody, followed by ICP‐MS detection.ResultsThe linear correlation coefficient (R2) of PGI and PGII standard curves was .9938 and .9911, with the dynamic range of 0‐200 ng/mL and 0‐60 ng/mL, respectively. The limit of detection for PGI and PGII was 1.8 ng/mL and 0.3 ng/mL, respectively. The average recovery was 101.41% ± 6.74% for PGI and 101.47% ± 4.20% for PGII. Good correlations were obtained between the proposed method and CLIA (r = .9588 for PGI, r = .9853 for PGII).ConclusionsWe established a mass spectrometry‐based immunoassay for the simultaneous detection of PGI and PGII in a single analysis. The element tagged immunoassay coupled with ICP‐MS detection has high sensitivity, accuracy, and specificity in clinical serum sample analysis.
Alexithymia and emotion regulation in patients with Raynaud's disease
Authors: Fábián Balázs , Csiki Zoltán , Bugán Antal 
Published: March 2020

AbstractObjectivesBesides cold, emotional distress is the most important trigger of Raynaud's disease (RD) attacks, although little is known about the factors that contribute to the effectiveness of coping with emotional distress. The aim of the present study was to explore alexithymia and emotion regulation and their relationship with depression and quality of life among patients with RD.MethodsTotal of 110 patients (mean age 53.65; 96 women) with RD completed self‐report measures.ResultsAlexithymia was associated with adverse emotional regulation skills, depression, and quality of life impairment. Detailed analysis revealed that there are significant differences between alexithymic and nonalexithymic patients in emotion regulation.ConclusionAlexithymia is a significant factor affecting health status in RD since it plays a significant role in emotion regulation. A multidisciplinary approach is essential to improve treatment outcome by identifying patients with high alexithymia, and to improve their emotional regulation skills.
Artificial neural network tuned PID controller for LFC investigation including distributed generation
Authors: Debnath Manoj K. , Agrawal Ramachandra , Tripathy Smruti Rekha , Choudhury Shreeram 
Published: March 2020

AbstractTo facilitate the frequency regulation, here an adaptive artificial neural network (ANN) tuned proportional‐integral‐derivative (PID) controller is suggested for load frequency control (LFC) investigation in a system with distributed generation (DG) resources. The various DG resources include wind turbine generators (WTG), battery energy storage system (BESS), aqua electrolyzer (AE), diesel engine generators (DEG), and fuel cell (FC). Initially, an isolated thermal generating system is considered with DG. Then an interconnected two‐area thermal power system with DG is considered for LFC analysis. The implemented PID controller parameters are achieved using two methodologies. In the first case, the PID controller parameters are tuned by a recent optimization technique known as grasshopper optimization algorithm (GOA). In the second case, the PID controller parameters are tuned by an ANN. The dynamic behavior of the two categories of the system is inspected with GOA tuned PID controller and ANN tuned PID controller and it is established that ANN tuned PID controller exhibits superior performance as compared to GOA tuned PID controller in terms of time‐based performance evaluative factors such as minimum undershoots, settling time and maximum overshoots. Also, the robustness of the recommended ANN tuned PID controller is verified by applying random loading in the system.