bluuebunny/crossref_metadata_2025_split huggingface dataset:
Relationships of protein composition, gluten structure, and dough rheological properties with short biscuits quality of soft wheat varieties
Authors: Zheng Baoqiang , Zhao Hong , Zhou Qin , Cai Jian , Wang Xiao , Cao Weixing , Dai Tingbo , Jiang Dong 
Published: February 2020

AbstractUnderstanding the contribution of protein composition and gluten structure to dough property and biscuit baking is crucial to improve soft wheat (Triticum aestivum L.) grain quality. Thus, the relationships of protein composition, gluten structure, and dough rheological properties with short biscuits quality was investigated using 10 Chinese soft wheat varieties. Content of grain protein, flour protein, gliadin, glutenin, and high and low molecular weight glutenin subunits were significantly positively correlated with hardness of biscuit, but negatively correlated with spread factor and sensory score. Gluten of wheat varieties with lower dough strength and better biscuit quality showed thinner walls of apertures and more regular apertures in its microstructure. The gluten with higher strength had more apertures and antiparallel β‐sheets and fewer α‐helices. Moreover, dough with a higher softening degree was easier to stretch and tended to produce biscuits with larger diameter and crispier taste during baking. In conclusion, main wheat quality characteristics that can be used to select grain samples suitable for making tasty biscuits were recommended as follows: flour protein content, wet gluten content and microstructure, Zeleny sedimentation value, and dough softening degree.
In vitro and In silico Studies on the Base Effect in Palladium‐Catalyzed Direct Arylation
Authors: Lai Yu‐Ying , Yang Hau‐Ren , Lee Hao‐Ting , Tsai Tien‐Liang , Sun Han‐Sheng 
Published: February 2020

AbstractPalladium‐catalyzed direct‐arylation (DAr) has shown promise in synthesizing conjugated molecules and polymers. Herein, palladium‐catalyzed DAr reactions of 2‐bromo‐3‐alkyl‐thiophene in the presence of distinct bases including pivalate, acetate, carbonate, and hydroxide, are performed in vitro and in silico. The entire pathways comprising oxidative addition (OA), concerted metalation‐deprotonation (CMD), and reductive elimination (RE) are investigated theoretically, indicating that the rate‐determining step varies with the base. Natural bond orbital analysis on the CMD transition states reveals that the classical Lewis pair and frustrated Lewis pair play important roles in the base‐coordinated CMD and the base‐assisted CMD, respectively. Multivariate regression analysis between the calculated CMD activation barrier and the orbital interactions yields a model equation, which is employed to further elucidate the characters of Lewis acid and Lewis base in the CMD. Overall, the computational results from the present study are in agreement with the experimental reaction yields and constitute the interpretation of the working principles for the DAr catalytic system, shedding light on further optimization and advance.
Exploiting N−H–π Interactions in 2‐(Dimesitylboraneyl)‐1H‐pyrrole for Luminescence Enhancement
Authors: Kalluvettukuzhy Neena K , Pagidi Sudhakar , Prasad Nandi Rajendra , Thilagar Pakkirisamy 
Published: February 2020

AbstractDesign and development of stable blue emitters are challenging owing to their potential applications in displays and lighting technologies. Triarylborane (TAB) with suitable donors has been extensively exploited in several fields. We report herein the synthesis and structural characterization of a simple 2‐(dimesitylboryl)‐1H‐pyrrole (2) and its precursor N‐Boc‐(dimesitylboryl)‐pyrrole (1). In the crystal lattice of 2, supramolecular dimer was formed by strong N−H–π (2.59 Å) hydrogen bonding interactions between the monomers and this dimer is further connected by weak van der Waals interactions (C−H–π) with neighbouring dimers to form a supramolecular network. There is no solvatochromism noted in the absorption spectra, however significant positive solvatochromism was observed in the fluorescence spectra; points to the polar nature of excited state of 1 and 2. Compound 2 showed intense and efficient blue color luminescence in the solid state than that of 1. Thus, N−H–π interactions and π‐excessive nature of pyrrole are responsible for the above features. Impressively, compounds 1 and 2 exhibit the phosphorescence emission with a long‐lived lifetime of ∼0.55 s at 77 K and delayed fluorescence at room temperature. DFT/TD‐DFT calculations were performed to support the experimental observations.
Do Serum Urate–Associated Genetic Variants Differentially Contribute to Gout Risk According to Body Mass Index? Analysis of the UK Biobank
Authors: Tai Vicky , Narang Ravi K. , Gamble Greg , Cadzow Murray , Stamp Lisa K. , Merriman Tony R. , Dalbeth Nicola 
Published: February 2020

ObjectiveTo examine whether urate‐associated genetic variants differ in their influence on gout risk according to body mass index (BMI).MethodsThis research was conducted using the UK Biobank Resource (n = 358,728). Participants were divided into 3 groups: BMI <25 kg/m2 (low/normal), BMI ≥25 kg/m2–<30 kg/m2 (overweight), and BMI ≥30 kg/m2 (obese). Gene–BMI interactions for gout association were tested by logistic regression using a urate genetic risk score (GRS).ResultsCompared to participants with a GRS less than the mean, the prevalence of gout was higher in those with a GRS greater than or equal to the mean in the low/normal BMI group (0.27% versus 0.77%), in the overweight BMI group (1.02% versus 3.02%), and in the obese BMI group (2.49% versus 6.23%). A GRS greater than or equal to the mean was positively associated with gout compared to a GRS less than the mean in the low/normal BMI group (odds ratio [OR] 2.89 [95% confidence interval (95% CI) 2.42–3.47]), in the overweight BMI group (OR 3.09 [95% CI 2.84–3.36]), and in the obese BMI group (OR 2.65 [95% CI 2.46–2.86]). There was a mildly attenuated effect of the GRS on gout risk in the obese BMI group compared to the overweight BMI group, but no difference in the effect of the GRS between the low/normal BMI and overweight BMI groups, nor between the low/normal BMI and obese BMI groups.ConclusionThe association of a urate GRS with gout is mildly attenuated in obese individuals compared to overweight individuals. However, genetic variants have a strong effect on gout risk in those with overweight and obese BMIs, with an effect similar to that observed in low/normal BMI.
One‐Pot Cascade Biotransformation for Efficient Synthesis of Benzyl Alcohol and Its Analogs
Authors: Liu Lijun , Zhu Yuling , Chen Yufen , Chen Huiyu , Fan Cong , Mo Qiwen , Yuan Jifeng 
Published: February 2020

AbstractBenzyl alcohol is a naturally occurring aromatic alcohol and has been widely used in the cosmetics and flavor/fragrance industries. The whole‐cell biotransformation for synthesis of benzyl alcohol directly from bio‐based L‐phenylalanine (L‐Phe) was herein explored using an artificial enzyme cascade in Escherichia coli. Benzaldehyde was first produced from L‐Phe via four heterologous enzymatic steps that comprises L‐amino acid deaminase (LAAD), hydroxymandelate synthase (HmaS), (S)‐mandelate dehydrogenase (SMDH) and benzoylformate decarboxylase (BFD). The subsequent reduction of benzaldehyde to benzyl alcohol was achieved by a broad substrate specificity phenylacetaldehyde reductase (PAR) from Solanum lycopersicum. We found the designed enzyme cascade could efficiently convert L‐Phe into benzyl alcohol with conversion above 99%. In addition, we also examined L‐tyrosine (L‐Tyr) and m‐fluoro‐phenylalanine (m‐f‐Phe) as substrates, the cascade biotransformation could also efficiently produce p‐hydroxybenzyl alcohol and m‐fluoro‐benzyl alcohol. In summary, the developed biocatalytic pathway has great potential to produce various high‐valued fine chemicals.
Room‐Temperature Phosphorescence‐active Boronate Particles: Characterization and Ratiometric Afterglow‐sensing Behavior by Surface Grafting of Rhodamine B
Authors: Hoshi Mitsuki , Nishiyabu Ryuhei , Hayashi Yuichiro , Yagi Shigeyuki , Kubo Yuji 
Published: February 2020

AbstractWe found that boronate particles (BP), as a self‐assembled system prepared by sequential dehydration of benzene‐1,4‐diboronic acid with pentaerythritol, showed greenish room‐temperature phosphorescence (RTP). This emission was observed in both solid and dispersion state in water. To understand the RTP properties, X‐ray crystallographic analysis, and density functional theory (DFT) and time‐dependent DFT at M06‐2X/6‐31G(d,p) level were performed using 3,9‐dibenzo‐2,4,8,10‐tetraoxa‐3,9‐diboraspiro[5.5]undecane (1) as a model compound. Our interest in functionalizing the RTP‐active particles led us to graft Rhodamine B onto their surface. The resulting system emitted a dual afterglow via a Förster‐type resonance energy transfer process from the BP in the excited triplet state to Rhodamine B acting as an acceptor fluorophore. This emission behavior was used for ratiometric afterglow sensing of water content in THF with a detection limit of 0.28 %, indicating that this study could pave the way for a new strategy for developing color‐variable afterglow chemosensors for various analytes.
Proton‐Activated Amorphous Room‐Temperature Phosphorescence for Humidity Sensing and High‐Level Data Encryption
Authors: Deng Yuchen , Li Peng , Sun Shujuan , Jiang Haiyan , Ji Xu , Li Huanrong 
Published: February 2020

AbstractSupramolecular co‐assembling terpyridine‐derivatives with nanoclay (LP) are exploited to acquire efficient amorphous room‐temperature phosphorescence (RTP). Experimental and theoretical investigations reveal that this co‐assembly not only brings about a configuration transformation from the trans‐trans (a) to the cis‐trans (a′′) form via the protonating process, significantly narrowing the singlet‐triplet energy gap, thereby effectively facilitating the single‐triplet ISC processes, but also well protects the triplet state and suppresses the nonradiative transitions via restricting molecular rotation and vibration by the hydrogen‐bond interactions between them. Additionally, the flexible and transparent films, through co‐assembling1@LP(or2@LP) with polyvinyl alcohol (PVA), also display excellent phosphorescence performance. Owing to their distinctive RTP performances, the RH sensing and high‐level data encryption are achieved.
Rhodium(III)‐Catalyzed Redox‐Neutral Coupling of α‐Trifluoromethylacrylic Acid with Benzamides through Directed C−H Bond Cleavage
Authors: Yoshimoto Risa , Usuki Yoshinosuke , Satoh Tetsuya 
Published: February 2020

AbstractA rhodium(III)‐catalyzed redox‐neutral coupling of α‐trifluoromethylacrylic acid with bezamides proceeds smoothly accompanied by amide‐directed C−H bond cleavage to produce β‐[2‐(aminocarbonyl)phenyl]‐α‐trifluoromethylpropanoic acid derivatives. One of the products can be transformed to a trifluoromethyl substituted heterocyclic compound. In addition, the redox‐neutral coupling of α‐trifluoromethylacrylic acid with related aromatic substrates possessing a nitrogen‐containing directing group can also be conducted under similar conditions.
Molecular Recognition of Zwitterions with Artificial Receptors
Authors: Alfonso Ignacio , Solà Jordi 
Published: February 2020

AbstractMany biomolecules exist as internal ion pairs or zwitterions within a biologically relevant pH range. Despite their importance, the molecular recognition of this type of systems is specially challenging due to their strong solvation in aqueous media, and their trend to form folded or self‐assembled structures by pairing of charges of different sign. In this Minireview, we will discuss the molecular recognition of zwitterions using non‐natural, synthetic receptors. This contribution does not intend to make a full in‐depth revision of the existing research in the field, but a personal overview with selected representative examples from the recent literature.
Controlled Synthesis of Cr‐Co0.85Se Nanoarrays for Water Splitting at an Ultralow Cell Voltage of 1.43 V
Authors: Du Xiaoqiang , Fu Jianpeng , Zhang Xiaoshuang 
Published: February 2020

AbstractWater splitting has attracted more and more attention as a promising strategy for the production of clean hydrogen fuel. In this work, a new synthesis strategy was proposed, and Co0.85Se was synthesized on nickel foam as the main matrix. The doping of appropriate Cr amount into the target of Co0.85Se and the Cr‐Co0.85Se resulted in an excellent electrochemical performance. The doping of Cr introduces Cr3+ ions which substitute Co2+ and Co3+ ions in Co0.85Se, so that the lattice parameters of the main matrix were changed. It is worth noting that the Cr0.15‐Co0.85Se/NF material exhibits an excellent performance in the oxygen evolution reaction (OER) test. When the current density reaches 50 mA cm−2 for OER, the overpotential is only 240 mV. For the hydrogen evolution reaction (HER) tests, the overpotential is only 117 mV to drive 10 mA cm−2 of current density. Moreover, when the Cr0.15‐Co0.85Se/NF material is used as a two‐electrode device for whole water splitting, the required cell voltage is only 1.43 V to reach a current density of 10 mA cm−2, which is among the lowest values of the published catalysts up to now. In addition, the Cr0.15‐Co0.85Se/NF catalyst also exhibits excellent stability during a long period of water splitting. The experimental result demonstrates that the change of the lattice structure has an obvious influence on the electrocatalytic activity of the material. When an external electric field is applied, it facilitates the rapid electron transfer rate and enhances the electrocatalytic performance and stability of the material.
Toward Pluramycins with Epoxy Side Chain: Syntheses of Kidamycinone and Epoxykidamycinone (Saptomycinone H)
Authors: Ando Yoshio , Maezawa Yoshihiko , Shimura Jun , Kitamura Kei , Matsumoto Takashi , Suzuki Keisuke 
Published: February 2020

AbstractFor exploring general routes to the pluramycin‐class of antibiotics, including congeners with epoxide‐bearing side chains, syntheses of kidamycinone and its epoxide (epoxykidamycinone) have been achieved. At the stage of the A‐ring cyclization with alkene‐bearing side chain, the desired 6‐endo product was obtained as a major compound, although the corresponding undesired 5‐exo product was also formed.
Emotional Processing of Ironic Versus Literal Criticism in Autistic and Nonautistic Adults: Evidence From Eye‐Tracking
Authors: Barzy Mahsa , Filik Ruth , Williams David , Ferguson Heather J. 
Published: February 2020

Typically developing adults are able to keep track of story characters' emotional states online while reading. Filik et al. showed that initially, participants expected the victim to be more hurt by ironic comments than literal, but later considered them less hurtful; ironic comments were regarded as more amusing. We examined these processes in autistic adults, since previous research has demonstrated socio‐emotional difficulties among autistic people, which may lead to problems processing irony and its related emotional processes despite an intact ability to integrate language in context. We recorded eye movements from autistic and nonautistic adults while they read narratives in which a character (the victim) was either criticized in an ironic or a literal manner by another character (the protagonist). A target sentence then either described the victim as feeling hurt/amused by the comment, or the protagonist as having intended to hurt/amused the victim by making the comment. Results from the nonautistic adults broadly replicated the key findings from Filik et al., supporting the two‐stage account. Importantly, the autistic adults did not show comparable two‐stage processing of ironic language; they did not differentiate between the emotional responses for victims or protagonists following ironic versus literal criticism. These findings suggest that autistic people experience a specific difficulty taking into account other peoples' communicative intentions (i.e., infer their mental state) to appropriately anticipate emotional responses to an ironic comment. We discuss how these difficulties might link to atypical socio‐emotional processing in autism, and the ability to maintain successful real‐life social interactions. Autism Res 2020, 13: 563–578. © 2020 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryIn line with research showing that autistic people have difficulties considering others' mental states, we found autistic adults were impaired at distinguishing the emotions and intentions experienced by story characters who received sarcastic comments (e.g., “That was fantastic parking” in a context where someone's parking was particularly bad). These findings highlight the difficulties that autistic people experience taking into account other peoples' intentions during communication to appropriately anticipate their emotional responses. © 2020 International Society for Autism Research, Wiley Periodicals, Inc.
Rechargeable Photoactive Zn‐Air Batteries Using NiCo2S4 as an Efficient Bifunctional Photocatalyst towards OER/ORR at the Cathode
Authors: Sarawutanukul Sangchai , Tomon Chanikarn , Duangdangchote Salatan , Phattharasupakun Nutthaphon , Sawangphruk Montree 
Published: February 2020

AbstractUsing free solar energy in oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) electrocatalysts to enhance the efficiency of zinc‐air batteries (ZABs) has not yet been widely investigated. Herein, we report a photoactive bifunctional catalyst of spinel‐type NiCo2S4 (NCS) urchin‐like structure with rich mesopores and direct band gap energies of ca. 1.4 and 2.4 eV. The NCS catalyst exhibits high catalytic activities for both OER (ɳ=338 mV at 10 mA cm−2) and ORR (ɳ=475 mV at E1/2), comparable to that of the state‐of‐the‐art counterparts (e. g., Pt/C for ORR, RuO2 for OER). Under light illumination, the p‐type photoactive NCS catalyst can absorb visible light, generating photogenerated holes and photoelectrons via the photoelectric effect for direct conversion of photoenergy into electric energy with increasing kinetics charge transfer process and provides ca. 10 and 18.5 % lower OER and ORR overpotentials, respectively than those under the dark condition. In addition, the as‐fabricated zinc‐air battery with the photoactive NCS as the cathode exhibits decrease in voltage gap from 0.82 to 0.60 V with an increasing round‐trip efficiency from 59.2 % to 68.8 % after exposed to visible light. The zinc‐air battery with a reversible redox reaction for the simultaneous conversion of chemical and photoenergy into electric energy could open a new pathway for the utilization of a single energy conversion and storage device.
Conditional survival after neoadjuvant chemoradiotherapy and surgery for oesophageal cancer
Authors: Hagens E R C , Feenstra M L , Eshuis W J , Hulshof M C C M , van Laarhoven H W M , van Berge Henegouwen M I , Gisbertz S S 
Published: February 2020

Abstract

Background
Conditional survival accounts for the time already survived after surgery and may be of additional informative value. The aim was to assess conditional survival in patients with oesophageal cancer and to create a nomogram predicting the conditional probability of survival after oesophagectomy.

Methods
This retrospective study included consecutive patients with oesophageal cancer who received neoadjuvant chemoradiation followed by oesophagectomy between January 2004 and 2019. Conditional survival was defined as the probability of surviving y years after already surviving for x years. The formula used for conditional survival (CS) was: CS(x|y) = S(x + y)/S(x), where S(x) represents overall survival at x years. Cox proportional hazards models were used to evaluate predictors of overall survival. A nomogram was constructed to predict 5-year survival directly after surgery and given survival for 1, 2, 3 and 4 years after surgery.

Results
Some 660 patients were included. Median overall survival was 44·4 (95 per cent c.i. 37·0 to 51·8) months. The probability of achieving 5-year overall survival after resection increased from 45 per cent directly after surgery to 54, 65, 79 and 88 per cent given 1, 2, 3 and 4 years already survived respectively. Cardiac co-morbidity, cN category, ypT category, ypN category, chyle leakage and pulmonary complications were independent predictors of survival. The nomogram predicted 5-year survival using these predictors and number of years already survived.

Conclusion
The probability of achieving 5-year overall survival after oesophagectomy for cancer increases with each additional year survived. The proposed nomogram predicts survival in patients after oesophagectomy, taking the years already survived into account.
Prospective study of the relevance of circulating tumor cell status and neoadjuvant chemotherapy effectiveness in early breast cancer
Authors: Ni Chao , Shen Yimin , Fang Qingqing , Zhang Min , Yuan Hongjun , Zhang Jingxia , Zhong Miaochun , Zheng Yajuan 
Published: February 2020

AbstractAlthough unequivocal evidence has shown the prognostic relevance of circulating tumor cells (CTCs) in patients with metastatic breast cancer (MBC), less evidence is available for its significance in neoadjuvant chemotherapy (NCT) in early breast cancer (BC). Here we conducted an analysis of individual data from 86 patients confirmed as invasive BC by core‐needle biopsy in Zhejiang Provincial People's Hospital between June 2013 and January 2017. The CTCs were assessed at the time after diagnosis and before surgery with the CanPatrol technique. The median follow‐up duration was 46.3 months. CTCs were detected in 37.2% of all patients (29/78) at baseline, and the presence of CTCs was associated with tumor size, tumor stage, and molecular classification. After NCT, the CTC‐positive patients were dropped from 29 to 8, and the EC‐T (epirubicin/cyclophosphamide followed by docetaxel) and TEC (docetaxel/epirubicin/cyclophosphamide) strategies reduce CTC‐positive patients from 16 to 3 and 13 to 5, respectively. The CTC‐negative conversion rates were similar in ER/PR+ HER2+ (5/7, 71.4%), ER/PR− HER2+ (8/11, 72.7%), and TNBC (7/10, 70%) during NCT. In addition, we explored the association between CTC‐negative conversion and objective response rate (partial response and complete response, ORR) and pathological complete response rate (pCR), and our results indicate that ORR was higher in patients with positive CTCs and converted to negative after NCT (ORR, P = .013; pCR, P = .0608). Our study preliminarily highlights the relevance of CTC status and NCT effectiveness in early BC using the CanPatrol system.