bluuebunny/crossref_metadata_2025 huggingface dataset:
Glycan Modulation of Insulin‐like Growth Factor‐1 Receptor
Authors: Boothello Rio S. , Sankaranarayanan Nehru Viji , Sistla Jyothi C. , Nagarajan Balaji , Sharon Chetna , Chittum John E. , Niyaz Rabiya Y. , Roy Swarnali , Nandi Aditi , O'Hara Connor P. , Gangji Rahaman Navaz , Afosah Daniel K. , Ongolu Ravikumar , Patel Bhaumik B. , Desai Umesh R.
Published: October 2022

The insulin‐like growth factor‐1 receptor (IGF‐1R) is a receptor tyrosine kinase (RTK) that plays critical roles in cancer. Microarray, computational, thermodynamic, and cellular imaging studies reveal that activation of IGF‐1R by its cognate ligand IGF1 is inhibited by shorter, soluble heparan sulfate (HS) sequences (e.g., HS06), whereas longer polymeric chains do not inhibit the RTK, a phenomenon directly opposed to the traditional relationship known for GAG‐protein systems. The inhibition arises from smaller oligosaccharides binding in a unique pocket in the IGF‐1R ectodomain, which competes with the natural cognate ligand IGF1. This work presents a highly interesting observation on preferential and competing inhibition of IGF‐1R by smaller sequences, whereas polysaccharides are devoid of this function. These insights will be of major value to glycobiologists and anti‐cancer drug discoverers.
Room‐Temperature Ring‐Opening Polymerization of δ‐Valerolactone and ϵ‐Caprolactone Caused by Uptake into Porous Pillar[5]arene Crystals
Authors: Kato Kenichi , Maeda Koki , Mizuno Motohiro , Nishina Yuta , Fa Shixin , Ohtani Shunsuke , Ogoshi Tomoki
Published: October 2022

Confined space provides a reaction platform with altered reaction rate and selectivity compared with a homogeneous solution. In this work, porous phenolic pillar[5]arene crystals were used as a reaction space to promote and perturb equilibrium between lactones and their corresponding polyesters. Immersion of porous pillar[5]arene crystals in liquid lactones induced ring‐opening polymerization of δ‐valerolactone and ϵ‐caprolactone at room temperature because the phenolic hydroxy groups have catalytic activity via hydrogen bonds and the pillar[5]arene cavities prefer linear guests. After the reaction, pillar[5]arene and polyesters formed pseudo‐polyrotaxanes.
Enantioselective Synthesis of Spirosilabicyclohexenes by Asymmetric Dual Ring Expansion of Spirosilabicyclobutane with Alkynes
Authors: Chen Hua , Peng Ju , Pang Qinjiao , Du Huimin , Huang Liying , Gao Lu , Lan Yu , Yang Cheng , Song Zhenlei
Published: October 2022

Silaspiranes have attracted particular attention due to their chiral spiro‐silicon center, which serves as an ideal carbon isostere and can endow spiro‐analogs with distinct properties. Distinct from previously reported cyclization or cycloaddition strategies to form 5/5‐silaspiranes, we report herein the asymmetric dual ring expansion of spirosilabicyclobutanes with alkynes to synthesize axially chiral spirosilabicyclohexenes bearing a novel 6/6‐silaspirane framework. DFT (density functional theory) calculations provide the deep insight into the origin of the high enantioselectivity controlled by the sterically demanding binaphthyl phosphoramidite ligand. Preliminary studies of chiroptical properties indicate that one of the spirosilabicyclohexene analogs exhibit fluorescence emission, Cotton effects and CPL (circularly polarized luminescence) activity.
Boron‐Cluster Embedded Necklace‐Shaped Nanohoops
Authors: Zhu Miao , Zhou Qin , Cheng He , Sha Ye , Bregadze Vladimir I. , Yan Hong , Sun Zhe , Li Xiang
Published: October 2022

The combination of carbon‐based nanohoops with other functional organic molecular structures should lead to the design of new molecular configurations with interesting properties. Here, necklace‐like nanohoops embedded with carborane were synthesized for the first time. The unique deboronization of o‐carborane has led to the facile preparation of ionic nanohoop compounds. Nanohoops functionalized by nido‐o‐carborane show excellent fluorescence emission, with a solution quantum yield of up to 90.0 % in THF and a solid‐state quantum efficiency of 87.3 %, which opens an avenue for the applications of the nanohoops in OLEDs and bioimaging.
Oxidative Cleavage of Alkenes by Photosensitized Nitroarenes
Authors: Patra Tuhin , Wirth Thomas
Published: October 2022

Oxidative cleavage of alkenes into carbonyl molecules mainly relies on either ozonolysis or Lemieux‐Johnson oxidation involving high valent transition metal oxides. Safety, technical concerns and highly oxidizing conditions of both these procedures limited their adoption in streamlined synthesis. Like ozone, photosensitized nitroarenes can deliver similar types of [3+2] cycloaddition products with alkenes through biradical formation and the resulting “N‐doped” ozonides can safely be converted to the corresponding carbonyl compounds through hydrolysis. The high prevalence of nitroarenes with diverse electronic and steric profiles combined with the mild oxidizing power allow to modulate site‐selectivity and tolerate highly sensitive functional groups ideal for application in complex molecular setup.
Deep‐Blue Electroluminescence from Phosphine‐Stabilized Au3 Triangles and Au3Ag Pyramids
Authors: Ni Jiteng , Zhong Chunlei , Li Liyuan , Su Mengxue , Wang Xinran , Sun Jianan , Chen Shuo , Duan Chunbo , Han Chunmiao , Xu Hui
Published: October 2022

The optoelectronic applications of clusters emerged rapidly. Cluster light‐emitting diodes (CLED) as representative hold promise as a new generation of displays and lightings. However, as one of the main challenges in electroluminescence (EL) field, until present, no deep‐blue CLEDs were reported, due to the strict requirements on excited‐state characteristics of clusters. Herein, two phosphine‐stabilized Au3 triangle and Au3Ag pyramid named [O(Audppy)3]BF4 and [O(Audppy)3Ag](BF4)2 were chosen to demonstrate efficient deep‐blue CLEDs. The ligand‐incorporated charge transfer transitions of the clusters contribute to both singlet and triplet excited states of the clusters, giving rise to phosphorescence at 460 nm and EL emissions at 436 nm. Based on device engineering, the maximum luminescence beyond 8000 nits and the chromatic coordinates with y <0.1 in deep‐blue region verify the competence of CLEDs for high‐resolution displays.
Boosting Ethane/Ethylene Separation by MOFs through the Amino‐Functionalization of Pores
Authors: Wang Gang‐Ding , Krishna Rajamani , Li Yong‐Zhi , Shi Wen‐Juan , Hou Lei , Wang Yao‐Yu , Zhu Zhonghua
Published: October 2022

Adsorption technology based on ethane‐selective materials is a promising alternative to energy‐intensive cryogenic distillation for separating ethane (C2H6) and ethylene (C2H4). We employed a pore engineering strategy to tune the pore environment of a metal–organic framework (MOF) through organic functional groups and boosted the C2H6/C2H4separation of the MOF. Introduction of amino (−NH2) groups into Tb‐MOF‐76 not only decreased pore sizes but also facilitated multiple guest‐host interactions in confined pores. The NH2‐functionalized Tb‐MOF‐76(NH2) has increased C2H6and C2H4uptakes and C2H6/C2H4selectivity. The results of experimental and simulated transient breakthroughs reveal that Tb‐MOF‐76(NH2) has significantly improved one‐step separation performance for C2H6/C2H4mixtures with a high C2H4(>99.95 %) productivity of 17.66 L kg−1compared to 7.53 L kg−1by Tb‐MOF‐76, resulting from the suitable pore confinement and accessible −NH2groups on pore surfaces.
A Dislocated Twin‐Locking Acceptor‐Donor‐Acceptor Configuration for Efficient Delayed Fluorescence with Multiple Through‐Space Charge Transfer
Authors: Xie Feng‐Ming , Li Hao‐Ze , Zhang Kai , Shen Yang , Zhao Xin , Li Yan‐Qing , Tang Jian‐Xin
Published: October 2022

Organic materials featuring intramolecular through‐space charge transfer (TSCT) excited states are advantageous for efficient thermally activated delayed fluorescence (TADF), although the realization of multiple TSCT systems remains challenging. Herein, a rigid molecule with a three‐dimensional dislocated sandwich acceptor‐donor‐acceptor configuration has been developed by a linking biphenazine (2PXZ) donor and 2,4,6‐triphenyl‐1,3,5‐triazine (TRZ) acceptor through the twin‐locking of two spiro‐fluorene bridges. The twin‐locking construction with multiple TSCT effects suppresses the intramolecular rotations of various segments in 2PXZ‐2TRZ, leading to a small singlet‐triplet energy difference, a fast reverse intersystem crossing process, and high photoluminescence quantum yield. This material simultaneously possesses the capabilities of TADF and aggregation‐induced emission. The device employing 2PXZ‐2TRZ as a dopant displays an optimal external quantum efficiency of 27.1 % and a low efficiency roll‐off.
Synthesis and properties of PAM/PLA composite degradable particle temporary plugging agent
Authors: Li Daqi , Li Fan , Liu Jinhua , Liu Chong , Su Gaoshen , Yang Huan , Yu Xiaorong
Published: October 2022

Using acrylamide (AM) and polylactic acid (PLA) as raw materials, polyacrylamide (PAM)/PLA composite temporary plugging agent TZDJ (TZDJ is a synthetic self‐degrading stopper) was synthesized by inverse suspension polymerization. The chemical structure, chemical composition, microscopic morphology, and thermal stability of TZDJ were characterized by Fourier infrared spectral analysis (FT‐IR), carbon nuclear magnetic resonance spectroscopy (13C NMR), scanning electron microscope (SEM), and thermogravimetric analysis (TGA). The degradation and plugging properties of TZDJ were studied by laboratory experiments, and the self‐degradation mechanism of TZDJ was proposed. The results show that TZDJ has good temperature and salt resistance, and it is completely degraded by hydrolysis at 180°C for 120 h. The fracture core displacement experiment shows that TZDJ has good plugging and core permeability recovery performance, and its temporary plugging rate and core permeability recovery rate are all above 90%. The FT‐IR and SEM analysis showed that the degradation process of TZDJ was divided into three stages: degradation of shell PAM, core PLA, and degradation product small molecules.
The effect of polyhedral oligomeric silsesquioxane fillers in non‐isocyanate polyurethane hybrid resins
Authors: MacInnis Carlee M. , Younes Georges R. , Marić Milan
Published: October 2022

Polyhedral oligomeric silsesquioxane (POSS) is added to poly(hydroxyurethane) (PHU) prepolymers to create hybrid PHUs (HPHUs) with enhanced mechanical and thermal properties. These hybrid materials were then further functionalized with 3‐Isocyanatopropyl(trimethoxy) silane (IPTMS) via the pendent hydroxyl bonds within the backbone of the polymers to obtain a final cured film comparable to conventional polyurethanes (PU), using less isocyanate‐functional material. The incorporation of POSS into PHU prepolymers to obtain HPHUs was supported by gel permeation chromatography, fourier tranform infrared spectroscopy (FTIR) and nuclear magnetic resonance analysis. Furthermore, the thermal degradation of the HPHUs was significantly improved with increasing POSS concentration compared to their PHU counterparts as the degradation temperatures at 50% weight loss increased from 263°C for the PHU to 341°C for the HPHU. Gel content tests in tetrahydrofuran (THF), water, and toluene were performed and gel contents of 87%–99% in THF were observed for the cured films. Water swelling, and contact angle tests confirmed that the POSS‐modified films exhibited hydrophobic behavior. Finally, mechanical properties of the cured films were investigated. The Young's modulus and tensile strength were improved with increasing POSS concentration (from 2.0 to 3.1 MPa and from 0.82 to 1.32 MPa, respectively) and elongations at break up to 41.6% were observed. When compared to a conventional PU sealant, the HPHU achieved a tensile strength that was two‐fold greater and a comparable elongation at break (increasing from 24.8% to as high as 41.6%).
The suspending appearance of poly(acrylic acid)‐based rheology modifier in high‐content surfactant: The effect of polymer structure and molecular weight on the rheological properties of the complex systems
Authors: Xie Zhengyun , Li Kai , Tang Wei , Yang Shulan , Sun Yanlin
Published: October 2022

The “all in one” multifunctional and concentrated daily chemical products are required by the market, such as the long‐term release of anti‐bacterial, medical, or perfume agents. These functions mainly rely on the microcapsules, which could encapsulate these functional and unstable molecules, and then release them in the long term. To stabilize these functional solid particles in a high‐content surfactant, it is necessary to add a suspending rheological modifier. The poly(acrylic acid) (PAA)‐based rheology modifier is one of the most common additives in the industry of daily chemicals, for thickening or suspending. In this paper, linear PAA, and branched PAA polymers (Carbomer 941 and Carbomer 940) were selected to study the suspending ability of PAA‐based rheology modifier in high‐content surfactant and to investigate the effect of PAA polymer structure and Mw on the complex solution's rheological properties. The yield and viscosity test of the complex solutions of linear PAA and high‐content surfactant revealed that the addition of linear PAA could lead to lower yield stress and viscosity, and failed to suspend the polystyrene (PS) model microspheres due to its smaller mean square radius of gyration. The branched PAA polymer, Carbomer 940 and Carbomer 941 were more stable than the linear PAA in these two kinds of surfactant. More specifically, Carbomer 940 with a higher Mw, would exhibit higher yield stress and viscosity than Carbomer 941 with a lower Mw in nonionic surfactant alcohol polyoxyethylene ether (AEO) solvent with content less than 5 wt%. When the content was higher than 5 wt%, Carbomer 941 presented higher yield stress and viscosity than Carbomer 940, and successfully suspended PS microspheres in the 20 wt% AEO solution. This could depend on the polymer chain's elongation state of these two PAA‐based branched rheology modifiers. The same trend happened in the appearance of Carbomer 940 and Carbomer 941 in alcohol ether sulphate (AES) solution. However, the electrostatic repulsive force between the AES and PAA‐based rheology modifier could further make the polymer chain curl up and restrain the suspending ability in a lower content surfactant solution. Therefore, this fundamental research could guide the application of the anionic polyelectrolytes in the concentrated daily chemical product for stable suspending particles.
Characterization of the complete mitochondrial genome of Cryptotermes domesticus (Blattodea: Kalotermitidae): Genome description and phylogenetic implications
Authors: Yu Guangyu , Cao Yufeng , He Peishan , Li Weijun , Wang Jianguo
Published: October 2022

The complete mitochondrial genome of Cryptotermes domesticus (Haviland) was sequenced and annotated to study its characteristics and the phylogenetic relationship of C. domesticus to other termite species. The mitogenome of C. domesticus is a circular, close, and double‐stranded molecule with a length of 15,655 bp. The sequenced mitogenome contains 37 typical genes, which are highly conserved in gene size, organization, and codon usage. Transfer RNA genes (tRNAs) also have typical secondary structures. All of the 13 protein‐coding genes (PCGs) start with an ATN codon, except for nad4, which starts with GTG and terminates with the terminal codon TAA and TAG or the incomplete form T‐‐ (cox2 and nad5). Most tRNAs have a typical cloverleaf structure, except for trnS1, in which this form is replaced by a simple loop and lacks the dihydrouridine (DHU) arm. The nucleotide diversity (Pi) and nonsynonymous (Ka)/synonymous (Ks) mutation rate ratios indicate that nad1, cox1, and cox3 are the most conserved genes, and that cox1 has the lowest rate of evolution. In addition, an 89 bp repeated sequence was found in the A + T‐rich region. Phylogenetic analysis was performed using Bayesian inference (BI) and maximum likelihood (ML) methods based on 13 PCGs, and the monophyly of Kalotermitidae was supported.
Identifying archaeological parenchyma in three dimensions: Diagnostic assessment of five important food plant species in the Indo‐Pacific region
Authors: Barron Aleese , Pritchard Jeni , Denham Tim
Published: October 2022

Archaeobotanical evidence for the exploitation of vegetatively propagated underground storage organs (USOs) in the tropical regions of Australia, Southeast Asia and the Pacific is currently limited. Although there have been several key studies of archaeological parenchyma published in the past two decades, systematic application of identification methods for vegetatively propagated crop species utilising charred, desiccated or waterlogged remains of parenchymatous tissue is not undertaken on a regular basis. Here, microCT imaging technology is used to compile a three‐dimensional virtual reference collection of parenchymatous tissues for five key USO species known to have been extensively cultivated by people in these regions. The five species are Dioscorea alata, Dioscorea esculenta, Colocasia esculenta, Alocasia macrorrhiza and Ipomoea batatas. These reference samples are used to illustrate the character of the virtual, microCT derived reference collection, and they also capture inter‐species differentiation and intra‐species morphological variation characteristic of many tuberous root crops.
Quantifying scientific breakthroughs by a novel disruption indicator based on knowledge entities
Authors: Wang Shiyun , Ma Yaxue , Mao Jin , Bai Yun , Liang Zhentao , Li Gang
Published: October 2022

Compared to previous studies that generally detect scientific breakthroughs based on citation patterns, this article proposes a knowledge entity‐based disruption indicator by quantifying the change of knowledge directly created and inspired by scientific breakthroughs to their evolutionary trajectories. Two groups of analytic units, including MeSH terms and their co‐occurrences, are employed independently by the indicator to measure the change of knowledge. The effectiveness of the proposed indicators was evaluated against the four datasets of scientific breakthroughs derived from four recognition trials. In terms of identifying scientific breakthroughs, the proposed disruption indicator based on MeSH co‐occurrences outperforms that based on MeSH terms and three earlier citation‐based disruption indicators. It is also shown that in our indicator, measuring the change of knowledge inspired by the focal paper in its evolutionary trajectory is a larger contributor than measuring the change created by the focal paper. Our study not only offers empirical insights into conceptual understanding of scientific breakthroughs but also provides practical disruption indicator for scientists and science management agencies searching for valuable research.
Non‐π‐Allyl Mechanism for the 1,4‐cis‐Butadiene Polymerization: Theoretical Study of Polymerization via Insertion of Butadiene into Al−C Bond with Cationic Gadolinium Metallocene.
Authors: Fukushima Rika , Tardif Olivier , Kaita Shojiro , Wakatsuki Yasuo , Kojima Yukihiro , Koga Nobuaki
Published: October 2022

This paper reports a computational study on the specific 1,4‐cis polymerization of butadiene catalyzed by the cationic gadolinium metallocene [(C5Me5)2Gd][B(C6F5)4] combined with excess amount of Al(iBu)3. Because this reaction system has no initial Gd–alkyl bond, a mechanism with conventional coordinative chain transfer polymerization (CCTP) is not feasible. Density functional theory (DFT) analyses indicate a novel mechanism in which the cationic Gd plays a crucial role by assisting butadiene insertion into one of the Al−C bond of Al(iBu)3. The proposed butadiene polymerization mechanism can account for the specific 1,4‐cis selectivity of this catalyst system.
The impact of cardiopulmonary exercise testing (CPET) and Charlson comorbidity index (CCI) in a large contemporary cohort of patients undergoing robot‐assisted radical cystectomy and intracorporeal urinary diversion (RARC‐ICUD)
Authors: McPhee Arthur , Ridgway Alexander , Bird Thomas , Pal Raj , Rowe Edward W. , Koupparis Anthony J. , Aning Jonathan J.
Published: October 2022

Objective

The aim of this study was to investigate whether pre‐operative comorbidity status measured by the Charlson comorbidity index (CCI) or cardiopulmonary exercise testing (CPET) is associated with postoperative complications and length of stay (LOS) in patients undergoing robot‐assisted radical cystectomy and intracorporeal urinary diversion (RARC‐ICUD).

Patients and methods

We conducted a retrospective study of a prospectively maintained database of 428 consecutive patients who underwent RARC‐ICUD at a tertiary referral centre between 2011 and 2019. CCI was correlated with peri‐operative outcomes including postoperative LOS, Clavien–Dindo (CD) complications and survival. A planned subgroup analysis was performed to evaluate the relationship between pre‐operative CPET, and the same outcomes utilising the threshold of anaerobic threshold (AT) ≥ 11/ <11 ml/kg/min were analysed.

Results

Of the total cohort, 350 patients undergoing RARC‐ICUD with complete data were included in the final analysis. A CCI score ≥5 was associated with a higher rate of CD III–V complications at 30‐day incidence rate ratio (IRR) = 3.033, (p = 0.02) and at 90‐day IRR 2.495, (p = 0.04) postsurgery. LOS was not associated with CCI; the strongest association with LOS was a CD complication of any grading. CCI did not predict readmission or mortality rates after surgery. Subanalyses of patients who underwent pre‐operative CPET found that CPET <11 ml/kg/min did not predict for LOS, CD complications or death within 1 year of surgery.

Conclusions

CCI score is a simple, reliable and cost‐effective way of identifying patients at increased risk of complication after RARC‐ICUD. Surgeons performing radical cystectomy should consider utilising CCI to augment pre‐operative patient counselling prior to RARC‐ICUD.
Early pregnancy vitamin D status and risk of select congenital anomalies in the National Birth Defects Prevention Study
Authors: Adrien Nedghie , Orta Olivia R. , Nestoridi Eirini , Carmichael Suzan L. , Yazdy Mahsa M. ,   for the National Birth Defects Prevention Study
Published: October 2022

Introduction

Vitamin D deficiency is associated with adverse pregnancy events. However, its role in the etiology of congenital anomalies remains unclear. We examined the association between vitamin D status, measured through prepregnancy diet, UV exposure, season of conception, and congenital anomalies.

Methods

We used data from the National Birth Defects Prevention Study, a U.S. population‐based case–control study (1997–2011). Prepregnancy dietary vitamin D was calculated from food frequency questionnaires and evaluated using tertiles, based on the distribution in controls. We used the National Oceanic and Atmospheric Administration Weather Service to assign UV indices based on location and estimated date of conception, then dichotomized UV exposure (low vs. high). Seasons of conception was categorized as fall/winter spring/summer. We used logistic regression to estimate adjusted odds ratios (aOR) and 95% confidence intervals (CI).

Results

Lower prepregnancy dietary vitamin D intake (<65.21 IU/d vs. >107.55 IU/d) was associated with increased odds of anencephaly (aOR = 1.28, 95% CI 1.01, 1.63), hypospadias (aOR = 1.21, 95% CI 1.04, 1.40), septal defects (aOR = 1.16, 95% CI 1.05, 1.30), diaphragmatic hernia (aOR = 1.42, 95% CI 1.13, 1.79), and gastroschisis (aOR = 1.27, 95% CI 1.07, 1.52). Findings were consistent when we stratified by UV exposure and season of conception.

Conclusions

Our findings suggest lower dietary intake of vitamin D may be associated with increased risk of select congenital anomalies. Further investigations are warranted to evaluate the effects of other nutrients and appropriate thresholds and sources of vitamin D using serum.
Self‐determination, restrictive eating, and psychological needs: Challenges for young athletes
Authors: Clermont Camille , Paquette Linda , Lalande Daniel , Dion Jacinthe
Published: October 2022

Objective

The purpose of this study was to examine the mediating role of self‐determination for sport in the relationship between psychological needs in a sport context, and restrictive eating behaviors among adolescent athletes, while controlling for confounding variables.

Method

Self‐report online surveys were completed by 983 adolescent athletes (41.3% identified as girls, M = 14.63 years, SD = 0.765). Structural equation modeling was conducted to investigate the hypothesized associations between basic psychological need satisfaction and frustration in sport, self‐determination for sport, and restrictive eating behaviors, controlling for the level of competition and the type of sport practiced. Gender differences between the associations were assessed using moderation analysis.

Results

Girls reported significantly more restrictive eating behaviors (Mgirls = 0.85; SD = 1.39 vs. Mboys = 0.62; SD = 1.31). Both associations between basic psychological need frustration and satisfaction and restrictive eating behaviors were mediated by self‐determination for sport (β = 0.054, 95% bootstrap IC = 0.027–0.089; β = −0.045, 95% bootstrap IC = −0.079 to −0.021). Further, gender moderated an association so that frustration of basic psychological in sport more strongly predicted restrictive eating behaviors in girls (β = 0.256; p = 0.008), compared with boys.

Discussion

Our study reveals considerable gender differences in the mechanism underlying the adoption of restrictive eating in adolescent athletes. The research also fills a gap in the literature by supporting the assumptions of the Hierarchical Model of Intrinsic and Extrinsic Motivation in eating behaviors, specifically in the sport context.
Systemic analysis of the DNA replication regulator origin recognition complex in lung adenocarcinomas identifies prognostic and expression significance
Authors: Tang Min , Chen Juan , Zeng Tian , Ye Dong‐mei , Li Yu‐kun , Zou Juan , Zhang Yu‐ping
Published: October 2022

Background

DNA replication alteration is a hallmark of patients with lung adenocarcinoma (LUAD) and is frequently observed in LUAD progression. Origin recognition complex (ORC) 1, ORC2, ORC3, ORC4, ORC5, and ORC6 form a replication–initiator complex to mediate DNA replication, which plays a key role in carcinogenesis, while their roles in LUAD remain poorly understood.

Methods

The mRNA and protein expression of ORCs was confirmed by the GEPIA, HPA, CPTAC, and TCGA databases. The protein–protein interaction network was analyzed by the GeneMANIA database. Functional enrichment was confirmed by the Metascape database. The effects of ORCs on immune infiltration were validated by the TIMER database. The prognostic significance of ORCs in LUAD was confirmed by the KM‐plot and GENT2 databases. DNA alteration and protein structure were determined in the cBioProtal and PDB databases. Moreover, the protein expression and prognostic value of ORCs were confirmed in our LUAD data sets by immunohistochemistry (IHC) staining.

Results

ORC mRNA and protein were significantly increased in patients with LUAD compared with corresponding normal tissue samples. The results of IHC staining analysis were similar result to those of the above bioinformatics analysis. Furthermore, ORC1 and ORC6 had significant prognostic values for LUAD patients. Furthermore, the ORC cooperatively promoted LUAD development by driving DNA replication, cellular senescence, and metabolic processes.

Conclusion

The ORC, especially ORC1/6, has important prognostic and expression significance for LUAD patients.
Triterpenoid Saponins from the Fruits of Symplocos lucida as β‐Glucuronidase Inhibitors
Authors: Higashi Reina , Ohta Emi , Ômura Hisashi , Uy Mylene M. , Ohta Shinji
Published: October 2022

A new triterpenoid saponin and five known ones were isolated from the fruits of Symplocos lucida (Thunb.) Siebold & Zucc. Their structures were determined based on the results of spectroscopy analysis, chemical conversions, and X‐ray crystallographic analyses. The β‐glucuronidase‐inhibitory effects of the isolated and semi‐synthesized triterpenoid saponins were also examined.
Theories supporting board reform
Authors: Eddy Pamela L. , Kater Susan T. , Gillett‐Karam Rosemary
Published: October 2022

This chapter reviews social and organizational theories that influence governance to contextualize new ways to think about the roles of boards of trustees. This chapter discusses how various organizational theories help define the roles of boards of trustees, the CEO, and other stakeholders with respect to governance. Using this backdrop, reforms to advance thinking about board operations that advance the mission of community colleges are presented. For example, student success and equity are at the forefront of challenges facing community college leaders and their boards. Understanding more fully how board actions and relationships can help advance this work is critical, and more research on governance and trustees is needed.
Synthesis of Mn(OH)(OCH3) as a Novel Precursor for 2D MnS‐Based Lithium‐ and Sodium‐Ion Battery Anode Materials
Authors: Chen Xunjie , Zhang Menghui , Liu Zhiting , Cai Jianzhong , Fan Haosen , Cui Yuyan , Wu Zenan , Peng Feng
Published: October 2022

Invited for this issue's Front Cover is the group of Professor Feng Peng from School of Chemistry and Chemical Engineering, Guangzhou University (China). The cover picture illustrates 2D α‐MnS‐based anode materials for lithium/sodium‐ion batteries. The characteristic 2D porous structure of α‐MnS together with conductive carbon shells endow N, S co‐doped carbon coated α‐MnS composite with great Li‐/Na‐ion storage performance. Read the full text of the Research Article at 10.1002/celc.202200738.
Probing the Structural Dynamics of a Bacterial Chaperone in Its Native Environment by Nitroxide‐Based EPR Spectroscopy
Authors: Pierro Annalisa , Bonucci Alessio , Normanno Davide , Ansaldi Mireille , Pilet Eric , Ouari Olivier , Guigliarelli Bruno , Etienne Emilien , Gerbaud Guillaume , Magalon Axel , Belle Valérie , Mileo Elisabetta
Published: October 2022

One of the greatest current challenges in structural biology is to study protein dynamics over a wide range of timescales in complex environments, such as the cell. Among magnetic resonances suitable for this approach, electron paramagnetic resonance spectroscopy coupled to site‐directed spin labeling (SDSL‐EPR) has emerged as a promising tool to study protein local dynamics and conformational ensembles. In this work, we exploit the sensitivity of nitroxide labels to report protein local dynamics at room temperature. We demonstrate that such studies can be performed while preserving both the integrity of the cells and the activity of the protein under investigation. Using this approach, we studied the structural dynamics of the chaperone NarJ in its natural host, Escherichia coli. We established that spin‐labeled NarJ is active inside the cell. We showed that the cellular medium affects NarJ structural dynamics in a site‐specific way, while the structural flexibility of the protein is maintained. Finally, we present and discuss data on the time‐resolved dynamics of NarJ in cellular context.
Lead‐Free Metal Halide Perovskite Nanocrystals: From Fundamentals to Applications
Authors: de Souza Carvalho Thaís Adriany , Magalhaes Leticia Ferreira , do Livramento Santos Calink Indiara , de Freitas Thiago Alvares Zamaro , Carvalho Vale Brener Rodrigo , Vale da Fonseca André Felipe , Schiavon Marco Antônio
Published: October 2022

Lead (Pb) halide perovskite nanocrystals, with the general formula APbX3, where A=CH3NH3+, CH(NH2)2+, or Cs+ and X=Cl−, Br−, or I−, have emerged as a class of materials with promising properties due to their remarkable optical properties and solar cell performance. However, important issues still need to be addressed to enable practical applications of these materials, such as instability, mass production, and Pb toxicity. Recent studies have carried out the replacement of Pb by various less‐toxic cations as Sn, Ge, Sb, and Bi. This variety of chemical compositions provide Pb‐free perovskite and metal halide nanostructures with a wide spectral range, in addition to being considered less toxic, therefore having greater practical applicability. Highlighting the necessity to address and solve the toxicity problems related to Pb‐containing perovskite, this review considers the prospects of the Pb‐free perovskite, involving synthesis methods, and properties of them, including advantages, disadvantages, and applications.
Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis
Authors: Zhang Shuo‐Qing , Xu Li‐Cheng , Li Shu‐Wen , Oliveira João C. A. , Li Xin , Ackermann Lutz , Hong Xin
Published: October 2022

Recent years have witnessed a boom of machine learning (ML) applications in chemistry, which reveals the potential of data‐driven prediction of synthesis performance. Digitalization and ML modelling are the key strategies to fully exploit the unique potential within the synergistic interplay between experimental data and the robust prediction of performance and selectivity. A series of exciting studies have demonstrated the importance of chemical knowledge implementation in ML, which improves the model's capability for making predictions that are challenging and often go beyond the abilities of human beings. This Minireview summarizes the cutting‐edge embedding techniques and model designs in synthetic performance prediction, elaborating how chemical knowledge can be incorporated into machine learning until June 2022. By merging organic synthesis tactics and chemical informatics, we hope this Review can provide a guide map and intrigue chemists to revisit the digitalization and computerization of organic chemistry principles.
Performance of pseudo‐specific cryogel in lysozyme purification from chicken egg white
Authors: Meira Ana Cristina Freitas de Oliveira , da Silva Richard Marins , Neves Isabelle Cristina Oliveira , Minim Luis Antônio , Veríssimo Lizzy Ayra Alcântara , de Resende Jaime Vilela
Published: October 2022

The application of cryogels for biomolecule purification has expanded due to their adsorption efficiency and operational advantages. In this study, polyacrylamide cryogels functionalized with l‐phenylalanine (cryogel‐Phe) via the glutaraldehyde method were designed for lysozyme adsorption. Cryogel functionalization was confirmed by Fourier‐transform infrared spectroscopy and Kjeldahl analysis, indicating the immobilization of 458.65 mgphenylalanine gcryogel−1. Cryogel‐Phe showed high porosity (0.95) and a Young's modulus of 526.71 kPa. Thermogravimetric analysis indicated that thermal degradation occurred above 200°C. Differential scanning calorimetry and X‐ray diffraction confirmed that the cryogel material was amorphous. In addition, the column presented a hydraulic permeability of 4.15 × 10−13 m2, axial dispersion ranging from 10−7 to 10−6 m2 s−1, and a height equivalent to a theoretical plate ranging from 0.10 to 0.21 cm. The highest adsorption of lysozyme (67.65 mg g−1) was obtained using sodium thiocyanate saline solution (0.025 mol L−1, pH 5.0). The ability of the cryogel‐Phe column to capture and purify lysozyme was confirmed by high enzymatic activity (1294.17 U ml−1), purity (87.92%), purification factor (11.49), and sulphate‐polyacrylamide electrophoresis gel (SDS‐PAGE) electrophoresis gel.
Recent Developments in Copper(I)‐Catalyzed Enantioselective Alkynylation Reactions via a Radical Process
Authors: Mo Xueling , Guo Rui , Zhang Guozhu
Published: October 2022

Comprehensive Summary

Alkynes are one of the most significant functional groups in organic chemistry and great efforts have been made to explore efficient approach for the construction of chiral alkynes. The asymmetric C(sp3)–C(sp) cross‐coupling provides a significant complementary strategy through radical‐initiated process. However, the stereocontrol of highly reactive and unstable radical intermediate has been a challenge for decades. To address this problem, a variety of chiral ligands are developed for initiating the reaction and achieving enantiocontrol of alkyl radicals. This review summarizes recent developments in copper‐catalyzed enantioselective alkynylation of prochiral alkyl radicals and their brief mechanistic studies.
Isolation of Protein Complexes from Tobacco Leaves by a Two‐Step Tandem Affinity Purification
Authors: Martin Raoul , Liu Furong , Staskawicz Brian
Published: October 2022

Protein purification is an essential method for understanding protein function, as many biochemical and structural techniques require a high concentration of isolated protein for analysis. Yet, many studies of protein complexes are hampered by our inability to express them recombinantly in model systems, generally due to poor expression or aggregation. When studying a protein complex that requires its host cellular environment for proper expression and folding, endogenous purification is typically required. Depending on the protein of interest, however, endogenous purification can be challenging because of low expression levels in the host and lack of knowledge working with a non‐model expression system, resulting in yields that are too low for subsequent analysis. Here, we describe a protocol for the purification of protein complexes endogenous to Nicotiana benthamiana directly from leaf tissue, with yields that enable structural and biochemical characterization. The protein complex is overexpressed in Nicotiana benthamiana leaves via agroinfiltration, and the protein‐packed leaves are then mechanically ground to release the complex from the cells. The protein complex is finally purified by a simple two‐step tandem affinity purification using distinct affinity tags for each complex member, to ensure purification of the assembled complex. Our method yields enough protein for various biochemical or structural studies. We have previously used this protocol to purify the complex formed by an innate immune receptor native to tobacco, ROQ1, and the Xanthomonas effector XopQ, and to solve its structure by single‐particle cryo‐electron microscopy—we use this example to illustrate the approach. This protocol may serve as a template for the purification of proteins from N. benthamiana that require the plant's cellular environment and are expressed at low levels. © 2022 Wiley Periodicals LLC.

Basic Protocol 1: Expression of the protein complex in leaf tissue

Basic Protocol 2: Tandem affinity purification of the ROQ1‐XopQ complex
Sex differences in myelination of the zebra finch vocal control system emerge relatively late in development
Authors: Diez Adriana , Wang Shenghan , Carfagnini Nicole , MacDougall‐Shackleton Scott A.
Published: October 2022

The role of myelination in the development of motor control is widely known, but its role in the development of cognitive abilities is less understood. Here, we examined sex differences in the development of myelination of structures and tracts that support song learning and production in songbirds. We collected brains from 63 young male and female zebra finches (Taeniopygia guttata) over four stages of development that correspond to different stages of song learning. Using a myelination marker (myelin basic protein), we measured the development of myelination in three different nuclei of the vocal control system (HVC, RA, and lateral magnocellular nucleus of the anterior nidopallium [LMAN]) and two tracts (HVC‐RA and lamina mesopallium ventralis [LMV]). We found that the myelination of the vocal control nuclei and tracts is sex related and male biased. In males, the patterns of myelination were age‐dependent, asynchronous in rate and progression and associated with the development of song learning and production. In females, myelination of vocal control nuclei was low or absent and did not significantly change with age. Sex differences in myelination of the HVC‐RA tract were large and emerged late in development well after sex differences in the size of vocal control brain regions are established. Myelination of this tract in males coincides with the age of song crystallization. Overall, the changes in myelination in the vocal control areas and tracts measured are region‐, age‐, and sex‐specific and are consistent with sex differences in song development.
A comprehensive UHPLC–MS/MS method for the analysis of endogenous and exogenous steroids in serum for anti‐doping purposes
Authors: Langer Tobias , Salamin Olivier , Nicoli Raul , Grabherr Silke , Kuuranne Tiia , Musenga Alessandro
Published: October 2022

In the context of steroid analyses, the use of blood could represent a valuable complement to urine. While the blood steroid profile is currently being established to aid unveiling testosterone (T) doping, this matrix is also well suited for detection of exogenous anabolic steroids and steroid esters. In this study, a method to determine a simplified blood steroid profile in combination with the direct detection of exogenous anabolic steroids and steroid esters using just one serum aliquot was developed to obtain a comprehensive analytical workflow. Following the first chromatographic analysis of endogenous and exogenous steroids, samples were derivatised with Girard's reagent T (GT) to improve the ionisation of steroid esters and re‐injected. The quantitative performance for T, androstenedione (A4) and 5α‐dihydrotestosterone (DHT) was evaluated and the method was validated for qualitative analysis of exogenous analogues with estimated limits of detection (LOD) between 50 and 500 pg/ml. To demonstrate the applicability of the method, samples collected from a clinical study with an oral administration of testosterone undecanoate (TU) to 19 male volunteers were then analysed. The individual serum steroid profiles with the endogenous markers T, A4 and DHT were established as well as the concentrations of TU. TU was detected in all 19 volunteers up to 24 h, while DHT represented the most promising biomarker in endogenous steroid profile for the detection of oral TU administration. These results showed that the selected approach to combine exogenous and endogenous steroid analysis has the potential to strengthen T doping detection in the future.
Gradual specialization of phagocytic ameboid cells may have impaired regenerative capacities in metazoan lineages
Authors: de Lima Felipe Matheus Ribeiro , Abrahão Isabella , Pentagna Nathalia , Carneiro Katia
Published: October 2022

Animal regeneration is a fascinating field of research that has captured the attention of many generations of scientists. Among the cellular mechanisms underlying tissue and organ regeneration, we highlight the role of phagocytic ameboid cells (PACs). Beyond their ability to engulf nutritional particles, microbes, and apoptotic cells, their involvement in regeneration has been widely documented. It has been extensively described that, at least in part, animal regenerative mechanisms rely on PACs that serve as a hub for a range of critical physiological functions, both in health and disease. Considering the phylogenetics of PAC evolution, and the loss and gain of nutritional, immunological, and regenerative potential across Metazoa, we aim to discuss when and how phagocytic activity was first co‐opted to regenerative tissue repair. We propose that the gradual specialization of PACs during metazoan derivation may have contributed to the loss of regenerative potential in animals, with critical impacts on potential translational strategies for regenerative medicine.
Systemic blood pressure in severe aortic stenosis: Haemodynamic correlates and long‐term prognostic impact
Authors: Maeder Micha T. , Rickli Hans , Weber Lukas , Weilenmann Daniel , Ammann Peter , Joerg Lucas , Haager Philipp K. , Rigger Johannes , Chronis Joannis , Brenner Roman
Published: October 2022

Aims

Blood pressure (BP) targets in patients with aortic stenosis (AS) are controversial. This study sought to describe the haemodynamic profile and the clinical outcome of severe AS patients with low versus high central meaarterial pressure (MAP).

Methods and results

Patients with severe AS (n = 477) underwent right and left heart catheterization prior to aortic valve replacement (AVR). The population was divided into MAP quartiles. The mean systolic BP, diastolic BP, and MAP in the entire population were 149 ± 25, 68 ± 11, and 98 ± 14 mmHg. Patients in the lowest MAP quartile had the lowest left ventricular ejection fraction (LVEF), systemic vascular resistance, and valvulo‐arterial impedance, whereas there were no significant differences in mean right atrial pressure, mean pulmonary artery wedge pressure, pulmonary vascular resistance, and stroke volume index across MAP quartiles. However, left ventricular stroke work index (LVSWI) was lowest in patients in the lowest and highest in those in the highest MAP quartile. After a median (interquartile range) post‐AVR follow‐up of 3.7 (2.6–5.2) years, mortality was highest in patients in the lowest MAP quartile [hazard ratio 3.08 (95% confidence interval 1.21–7.83); P = 0.02 for lowest versus highest quartile]. In the multivariate analysis, lower MAP [hazard ratio 0.78 (95% confidence interval 0.62–0.99) per 10 mmHg increase; P = 0.04], higher mean right atrial pressure and lower LVEF were independent predictors of death.

Conclusions

In severe AS patients, lower MAP reflects lower systemic vascular resistance and valvulo‐arterial impedance, which may help to preserve stroke volume and filling pressures despite reduced left ventricular performance, and lower MAP is a predictor of higher long‐term post‐AVR mortality.
How negative and positive constructs and comorbid conditions contribute to disability in chronic orofacial pain
Authors: Thomas Sharon , Wang Yang , Cundiff‐O'Sullivan Rachel , Massalee Rachel , Colloca Luana
Published: October 2022

Background

Temporomandibular disorders (TMD) symptoms develop into chronic pain for some patients, but the reasons for this are unclear. Psychosocial factors and chronic overlapping pain conditions are believed to contribute to the development of pain‐related disability. We examined the role of jaw function, negative and positive psychological factors and chronic overlapping pain conditions (COPCs) on pain‐related disability whilst controlling for demographic variables.

Methods

We collected demographics, medical and psychosocial history and the Graded Chronic Pain Scale, a measure of pain intensity and pain interference from 400 participants with chronic TMD. Structural equation modelling was used to assess a model of COPCs and the latent variables of psychological unease (pain catastrophizing, somatic symptoms and negative affect), positive valence factors (optimism and positive affect), jaw function (chewing, opening and expression limitation) and pain‐related disability (pain intensity and pain interference) whilst controlling for demographic variables.

Results

We achieved good fit of a parsimonious model (root‐mean‐square error of approximation = 0.063 [90% CI] [0.051–0.075]), comparative fit index = 0.942, standard root‐mean‐square residual = 0.067. Jaw function was the strongest latent variable predictor, followed by psychological unease and COPCs suggesting resources focused on improving joint function, psychosocial support and management of COPCs will improve pain‐related disability in TMDs.

Conclusions

These findings not only increase the body of knowledge related to TMD clinical phenotypes but also, have a translational impact in further supporting the potential value of targeting physical therapy such as jaw exercise along with psychological interventions as multidisciplinary nonpharmacological therapeutic solutions.