bluuebunny/crossref_metadata_2025 huggingface dataset:
Epoxy thermosets with a multicolor switching during both compression and recovery processes
Authors: Lai Yingsheng , Chen Mao , Wu Yeping , Zhang Yinyu , Zhao Xiuli , Chen Zhongtao
Published: July 2022

Multicolor mechanochromic polymers that can distinguish between different levels of stress indicated by color changes remain difficult to develop. This work reports a versatile strategy to construct mechanochromic epoxy thermosets that exhibit multicolor switching via the incorporation of two distinct mechanochromophores, rhodamine (Rh) and disulfide (DS), at finely tuned ratios. Owing to the different mechanosensitivities of the two components, the relative populations between the activated Rh and DS changed with compressive stress, as demonstrated by solid UV–vis spectroscopy, which revealed a color switch from pale yellow to green at 0.5 GPa, then to red at 2.0 GPa. The samples compressed at low stresses also showed a multicolor switching during the recovery process owing to the activated DS having faster recombination rates than the Rh. The facile preparation and ability to observe the stress intensity and stress history with the naked eye make these thermosets useful in practical applications.
Poly(2‐(dimethylamino) ethyl methacrylate)‐b‐poly(lauryl methacrylate)‐b‐poly(oligo ethylene glycol methacrylate) triblock terpolymer micelles as drug delivery carriers for curcumin
Authors: Skandalis Athanasios , Selianitis Dimitrios , Sory David R. , Rankin Sara M. , Jones Julian R. , Pispas Stergios
Published: July 2022

This work aims to investigate the ability of poly[2‐(dimethylamino)ethyl methacrylate‐b‐lauryl methacrylate‐b‐(oligo ethylene glycol)methacrylate], PDMAEMA‐b‐PLMA‐b‐POEGMA amphiphilic triblock terpolymers, to encapsulate the model hydrophobic compound curcumin. The terpolymers were synthesized by RAFT polymerization methodologies at variable molecular weights and compositions and self‐assemble into spherical micelles with mixed PDMAEMA/POEGMA coronas and PLMA cores, when inserted in aqueous solutions. Fourier transform infrared and UV–Vis spectroscopy measurements were utilized in order to confirm and quantify the encapsulation of curcumin within the polymeric micelles respectively. Dynamic light scattering was used for the investigation of the size of the nanostructures formed and transmission electron microscopy proved that their morphology is spherical. Moreover, the colloidal stability of the systems in physiological conditions was assessed and two independent in vitro cytotoxicity assays revealed that curcumin‐loaded PDMAEMA‐b‐PLMA‐b‐POEGMA micelles were not cytotoxic.
Stable isotope mixing models demonstrate the role of an invasive plant in wetland songbird food webs
Authors: Wigginton Rachel D. , Van Grootheest Chloe , Spautz Hildie , Grenier J. Letitia , Whitcraft Christine R.
Published: July 2022

Premise

Invasive plants in wetlands are often ecosystem engineers, mediating changes in ecosystem functions like trophic support. We documented the impacts of Lepidium latifolium, an invasive plant, on the food web of omnivorous birds (Suisun song sparrows, Melospiza melodia maxillaris) in a tidal wetland of northern California, USA.

Methods

We used analysis of natural abundance stable isotopes of 13C and 15N in song sparrow blood, invertebrate food sources, L. latifolium seeds, and other marsh plant seeds to inform Bayesian, concentration‐dependent mixing models that predicted average song sparrow diets.

Results

Season and plant phenology influenced food source incorporation and isotopic signatures. Song sparrows showed higher isotopic variability in the summer. The observed changes in song sparrow diets were driven by altered invertebrate communities related to seasonal L. latifolium presence and by shifts from seeds to consumption of invertebrate food sources during the breeding season in the spring and summer.

Discussion

This study used stable isotope tools and modeling to demonstrate two mechanisms of isotopic influence by L. latifolium on omnivorous song sparrows. This study can inform site‐ and species‐specific management strategies by demonstrating how changes to the plant community can impact entire trophic systems.
Highly Active Cyclic Zinc(II) Thione Catalyst for C−C and C−N Bond Formation Reactions
Authors: Mannarsamy Maruthupandi , Nandeshwar Muneshwar , Muduli Gopendra , Prabusankar Ganesan
Published: July 2022

The first discrete seven‐membered cyclic zinc(II) complex catalyzed room temperature Knoevenagel condensation reactions, and the synthesis of perimidine derivatives has been reported under mild reaction conditions. The cyclic zinc(II) complex [(L)ZnBr2] (1) was isolated from the reaction between 1‐(2‐hydroxyethyl)‐3‐isopropyl‐benzimidazol‐2‐thione (L) and ZnBr2. Complex 1 was characterized by different analytic techniques such as FT‐IR, CHNS, TGA, NMR, and SCXRD. The mononuclear zinc(II) complex 1 was utilized as a catalyst for Knoevenagel condensation reactions to isolate twenty different substituted methylene malononitriles with excellent yield. Besides, the zinc(II) thione complex 1 was utilized for the synthesis of 2,4‐dihydroperimidine derivatives in a highly efficient manner. Catalyst 1 depicted wide substrate scopes. Overall, twenty different substituted methylene malononitriles and nine different perimidine derivatives were synthesized using catalyst 1 at room temperature. The present investigation features a mild and fast synthetic approach along with excellent functional group tolerance.
Production of retinoic acid by engineered Saccharomyces cerevisiae using an endogenous aldehyde dehydrogenase
Authors: Hu Qiongyue , Yu Hongwei , Ye Lidan
Published: July 2022

Retinoic acid (RA), a vitamin A (retinol)‐derived lipophilic compound, is involved in various physiological functions. The demand for RA is growing in the pharmaceutical industry, but RA biosynthesis is still in its infancy compared to other forms of retinoids such as retinol and retinal, largely due to the lack of efficient retinal dehydrogenases. To achieve effective biosynthesis of RA, the catalytic activities of exogenous retinal dehydrogenases were comparatively analyzed in a previously constructed retinoids‐producing Saccharomyces cerevisiae strain, followed by mining of endogenous enzymes with higher retinal dehydrogenase activities using homology‐based search. After confirming the retinal oxidation activity of the endogenous aldehyde dehydrogenase Hfd1 using in vivo and in vitro experiments, it was overexpressed in multiple copies, and the resulting strain produced 99.71 mg/L of RA in shake‐flask cultures. Finally, 545.28 mg/L of RA was produced in fed‐batch fermentation. This study suggests the yeast endogenous Hfd1 as a potent catalyst for RA biosynthesis, and demonstrates the potential of yeast as a platform for RA production.
Simultaneous determination of nirmatrelvir and ritonavir in human plasma using LC–MS/MS and its pharmacokinetic application in healthy Chinese volunteers
Authors: Liu Chenxi , Zhu Miqun , Cao Liyun , Boucetta Hamza , Song Min , Hang Taijun , Lu Yuting
Published: July 2022

Paxlovid, a copackaged medication of nirmatrelvir tablets (150 mg) and ritonavir tablets (100 mg) developed by Pfizer, is one of the first orally accessible COVID‐19 antiviral medicines to be approved for emergency usage. In this research, an efficient LC–MS/MS method for simultaneous determination of nirmatrelvir and ritonavir in human plasma was established and validated with remdesivir as an internal standard. Chromatographic separations were carried out on a Thermo BDS Hypersil C18 column (4.6 × 100 mm, 2.4 μm) using deionized water and methanol as mobile phase, both added with 0.1% (v/v) formic acid. Based on the positive electrospray ionization mode, nirmatrelvir and ritonavir were analyzed by selective reaction monitoring. Excellent precision, accuracy, recovery, and linearity were demonstrated, covering the range of 50–5000 ng/mL for nirmatrelvir and 10–1000 ng/mL for ritonavir. Then, the established method was used for determining the pharmacokinetic profile of Paxlovid in healthy Chinese volunteers. The pharmacokinetic parameters, including Cmax, Tmax, t1/2, and AUC0 − ∞ of Western volunteers, correspond well with the results of this pharmacokinetic investigation.
Exploration of the breast ductal carcinoma in situ signature and its prognostic implications
Authors: Zhang Jiao , Lin Hui , Hou Lei , Xiao Hui , Gong Xilong , Guo Xuhui , Cao Xuchen , Liu Zhenzhen
Published: July 2022

Following the implementation of breast screening programs, the occurrence of ductal carcinoma in situ (DCIS) as an early type of neoplasia has increased. Although the prognosis is promising, 20%–50% of DCIS patients will progress to invasive ductal carcinoma (IDC) if not treated. It is essential to look for promising biomarkers for predicting DCIS prognosis. The Gene Expression Omnibus (GEO) database was used to explore the expression of genes that differed between DCIS and normal tissue in this investigation. Enrichment analysis was performed to characterize the biological role and intrinsic process pathway. The Cancer Genome Atlas Breast Cancer Dataset was used to categorize the hub genes, and the results were confirmed using the Cytoscape plugin CytoHubba and MCODE. The prognostic ability of the core gene signature was determined through time‐dependent receiver operating characteristic (ROC), Kaplan–Meier survival curve, Oncomine databases, and UALCAN databases. In addition, the prognostic value of core genes was verified in proliferation assays. We identified 217 common differentially expressed genes (DEGs) in the present study, with 101 upregulated and 138 downregulated genes. The top genes were obtained from the PPI network (protein–protein interaction). A unique six‐gene signature (containing GAPDH, CDH2, BIRC5, NEK2, IDH2, and MELK) was developed for DCIS prognostic prediction. Centered on the Cancer Genome Atlas (TCGA) cohort, the ROC curve showed strong results in prognosis prediction. The six core gene signatures is often overexpressed in DCIS, with a weak prognosis. Furthermore, when breast cancer cells are transfected with small interfering RNAs, downregulation of core gene expression substantially inhibits cell proliferation, revealing a high potential for employing core genes in DCIS prognosis. In conclusion, the current investigation verified the six core genes signatures for prospective DCIS biomarkers, which may aid clinical decision‐making for individual care.
Daphnetin, a Coumarin in Genus Stellera Chamaejasme Linn: Chemistry, Bioactivity and Therapeutic Potential
Authors: Hang Sijin , Wu Wenhui , Wang Yinan , Sheng Ruilong , Fang Yiwen , Guo Ruihua
Published: July 2022

Coumarins is a huge family of phenolic compounds containing a common structure of 2H‐1‐benzopyran‐2‐one. Nowadays, more than 1,300 natural‐based coumarins have been identified in a variety of plants, bacteria and fungi, many of them exhibited promising biomedical performance. Daphnetin (7,8‐dihydroxycoumarin), a typical coumarin, showed a couple of bioactivities such as anti‐cancer, antibacterial, anti‐inflammatory and anti‐arthritis. In the treatment of diseases, it has been verified that daphnetin has outstanding therapeutic effects on diabetes, arthritis, transplant rejection, cancer and even on central nervous system diseases. In China, it is being used for clinical applications, about 93 patent publications were associated with daphnetin. Due to its wide therapeutic potentials in clinical applications, numerous research on the action mechanisms and synthetic methods of daphnetin have been performed to support the future developments. Herein, we summarized the chemical synthetic methodologies, bioactivities, therapeutic potentials and structure‐activity relationships of daphnetin and its derivatives. Moreover, the state‐of‐the‐arts in current daphnetin study and future perspective in this field were discussed. Hopefully, this review would be beneficial for the discovery of new coumarin‐based biomedicine in the near future.
Intriguing mass associated with cleft palate
Authors: Daldoul Malek , Tritar Sirine , Ayachi Samia , Moatemri Ramzi , Kochtali Habib
Published: July 2022

Nasopharyngeal teratomas are rare and represent only 2% of all teratomas. They can lead to an embryopathogenic mechanical obstacle responsible for a cleft palate with few reported cases of this association in the literature. We report the case of a 14‐month‐old girl with this atypical association.
Trifluoromethoxylation Reactions of (Hetero) arenes, Olefinic Systems and Aliphatic Saturated Substrates
Authors: Barata‐Vallejo Sebastian , Bonesi Sergio M. , Postigo Al
Published: July 2022

Direct fluoroalkoxylation reactions of (hetero)arenes, carbon‐carbon multiple bonds, and substitution reactions at Csp3carbon centers by CF3O, CHF2O, and (CF3)2CFO groups are discussed. Emphasis on thermal radical, electron transfer, photocatalytic, electrochemical and redox‐neutral radical methods are placed to accomplish fluoroalkoxylation reactions. All these methods employ either radical fluoroalkoxylating reagents or some nucleophilic trifluoromethoxylating sources of CF3O. A summary of all these methods is provided in Table 2.
Mechanistic Studies for the Rational Design of Multivalent Glycodendrimers
Authors: Manabe Yoshiyuki , Tsutsui Masato , Hirao Kohtaro , Kobayashi Risako , Inaba Hiroshi , Matsuura Kazunori , Yoshidome Daisuke , Kabayama Kazuya , Fukase Koichi
Published: July 2022

We have synthesized B‐antigen‐displaying dendrimers (16‐mers) with different sizes and evaluated their affinity to their IgM antibody in order to investigate which design features lead to effective multivalency. Unexpectedly, the smallest dendrimer, which cannot chelate the multiple binding sites of IgM, clearly exhibited multivalency, together with an affinity similar to or higher than those of the larger dendrimers. These results indicate that the statistical rebinding model, which involves the rapid exchange of clustered glycans, significantly contributes to the multivalency of glycodendrimers. Namely, in the design of glycodendrimers, high‐density glycan presentation to enhance statistical rebinding should be considered in addition to the ability to chelate multiple binding sites. This notion stands in contrast to the currently prevailing scientific consensus, which prioritizes the chelation model. This study thus provides new and important guidelines for molecular design of glycodendrimers.
Structure of Zinc and Nickel Histidine Complexes in Solution Revealed by Molecular Dynamics and Raman Optical Activity
Authors: Hudecová Jana , Kapitán Josef , Dračínský Martin , Michal Pavel , Profant Václav , Bouř Petr
Published: July 2022

The histidine residue has an exceptional affinity for metals, but solution structure of its complexes are difficult to study. For zinc and nickel complexes, Raman and Raman optical activity (ROA) spectroscopy methods to investigate the link between spectral shapes and the geometry were used. The spectra were recorded and interpreted on the basis of ionic equilibria, molecular dynamics, ab initio molecular dynamics, and density functional theory. For zwitterionic histidine the dominant tautomer was determined by the decomposition of experimental spectra into calculated subspectra. An octahedral structure was found to prevail for the ZnHis2 complex in solution, in contrast to a tetrahedral arrangement in the crystal phase. The solution geometry of NiHis2 is more similar to the octahedral structure found by X‐ray. The Raman and ROA structural determinations of metal complexes are dependent on extensive computations, but reveal unique information about the studied systems.
Controlling the Emissive, Chiroptical, and Electrochemical Properties of Double [7] Helicenes through Embedded Aromatic Rings
Authors: Hong Juan , Xiao Xuxian , Liu Haoliang , Dmitrieva Evgenia , Popov Alexey A. , Yu Zidong , Li Ming‐De , Ohto Tatsuhiko , Liu Jun , Narita Akimitsu , Liu Pengcai , Tada Hirokazu , Cao Xiao‐Yu , Wang Xiao‐Ye , Zou Yingping , Müllen Klaus , Hu Yunbin
Published: July 2022

We present here the synthesis and in‐depth physicochemical characterization of a double hetero[7]helicene fused with four triazole rings at both helical ends. The comparison of this triazole‐fused double helicene with the previously reported all‐carbon and thiadiazole‐fused analogs revealed the huge impact of the embedded aromatic rings on the photophysical features. The small structural variation of the terminal rings from thiadiazole to triazole caused a dramatic change of the photoluminescence quantum yields (PLQYs) from <1 % to 96 %, while the replacement of the terminal benzene rings with triazole rings induced a tenfold enhancement of the circularly polarized luminescence dissymmetry factor. These observations were well corroborated with transient absorption analysis and/or theoretic calculations. In addition, the triazole‐fused double helicene exhibited ambipolar redox behavior, enabling the generation of radical cation and anion species by electrochemical and chemical methods and showing its potential for spin‐related applications.
Self‐Assembling Behaviour of Perylene, Perylene Diimide, and Thionated Perylene Diimide Deciphered through Non‐Covalent Interactions
Authors: Parida Sanjukta , Patra Sanjib K. , Mishra Sabyashachi
Published: July 2022

The π‐conjugated supramolecular polymers (SMP) have gained vast popularity in materials chemistry and biomedicine due to their spectacular self‐assembling behaviour. A detailed account of the electronic structure and bonding through quantum theory of atoms‐in‐molecules, non‐covalent interactions, and energy decomposition analysis (EDA) in the oligomers of perylene, perylene diimide (PDI), and thionated‐PDI (t‐PDI) is presented. The oligomers of all three molecules show a slip angle of θ≈62° thus forming H‐aggregates. The stacking pattern in perylene oligomers prefers a slip‐stacked brick‐layer order, while the bulkier PDI and t‐PDI prefer a parallel step‐wise pattern in their oligomers. Successive addition of monomers leads to a consequent rise in the association energy, although to a much greater extent in PDI and t‐PDI than in perylene. While the major contribution to this association energy comes from the dispersion interactions in all three systems, the steric interactions in t‐PDI quench the cooperativity in its SMP formation. A detailed analysis of the non‐covalent interactions reveals the presence of π‐π, π‐hole⋅⋅⋅O=C, and π‐hole⋅⋅⋅S=C electrostatic interactions playing a crucial role in the self‐assembly process, which can be further implemented on developing force field‐based methods for understanding the self‐assembling mechanism in higher degree of oligomers.
Amphiphilic Cationic Phthalocyanines for Photodynamic Therapy of Cancer
Authors: Halaskova Marie , Kostelansky Filip , Demuth Jiri , Hlbocanova Ingrid , Miletin Miroslav , Zimcik Petr , Machacek Miloslav , Novakova Veronika
Published: July 2022

Effective interaction with biomembranes is essential for activity of photosensitizers; however, majority of them are highly charged symmetrical species. Amphiphilic cationic phthalocyanines differing in bulkiness of substitution on lipophilic part (‐H, ‐SMe, ‐StBu) were therefore prepared. Compounds had high singlet oxygen production (ΦΔ=0.38–0.46, DMSO), good fluorescence emission (ΦF=0.21–0.26, DMSO), and log P values ranging −0.07–1.1 (1‐octanol/PBS). Study of interaction with liposomes revealed that also bulky ‐StBu derivatives are able to enter biomembranes. Detail in vitro studies (toxicity, subcellular localization, type of cell death, and morphology) were performed. Compounds were characterized by excellent EC50 values in range of dozens of nM (HeLa, EA.hy926, MCF‐7, HCT116), which were dependent on drug‐light interval and reached plateau after 4 h on HeLa cells. Well‐balanced lipophilicity with ability to interact with biomembranes rank these derivatives among perspective photosensitizers, even for vascular‐targeted PDT (VTP) since they kill EA.hy926 without any preincubation time.
Eco‐Friendly Synthesis of 3D Disordered Carbon Materials for High‐Performance Dual Carbon Na‐Ion Capacitors
Authors: Fombona‐Pascual Alba , Díez Noel , Fuertes Antonio B. , Sevilla Marta
Published: July 2022

An eco‐friendly and sustainable salt‐templating approach was proposed for the production of anode materials with a 3D sponge‐like structure for sodium‐ion capacitors using gluconic acid as carbon precursor and sodium carbonate as water‐removable template. The optimized carbon material combined porous thin walls that provided short diffusional paths, a highly disordered microstructure with dilated interlayer spacing, and a large oxygen content, all of which facilitated Na ion transport and provided plenty of active sites for Na adsorption. This material provided a capacity of 314 mAh g−1 at 0.1 A g−1 and 130 mAh g−1 at 10 A g−1. When combined with a 3D highly porous carbon cathode (SBET ≈2300 m2 g−1) synthesized from the same precursor, the Na‐ion capacitor showed high specific energy/power, that is 110 Wh kg−1 at low power and still 71 Wh kg−1 at approximately 26 kW kg−1, and a good capacity retention of 70 % over 10000 cycles.
Calix[n]arenes in Action: Recent Applications in Organocatalysis
Authors: Simões Juliana Baptista , Leite da Silva Daniel , Fernandes Sergio Antonio , de Fátima Ângelo
Published: July 2022

The use of calix[n]arenes as organocatalysts has increasingly been considered a prime focus due to their adjustable three‐dimensional molecular structure, easy synthesis, and versatile structural modification at the upper and lower edges. For instance, these macromolecules have been described as efficient catalysts for asymmetric aldol reactions, asymmetric Michael addition, esterification and transesterification, dehydration, nucleophilic aromatic substitution, and multicomponent reactions. Furthermore, calix[n]arenes also tolerate aqueous or solvent‐free reaction systems and can be supported on solid and/or magnetic particles, showing cost, time and energy savings, easier experimental procedures, and chemical waste reduction.
Direct Functionalization of Lithium Phosphine Oxides Bearing an Alkyne Chain
Authors: Sanaa Hamdi , Samarat Ali , Durandetti Muriel
Published: July 2022

An efficient synthesis of functionalized alkynyl phosphine oxides is described. The current approach is based on the activation of the phosphorus−hydrogen bond (P−H bond) of a secondary phosphine oxide. After the deprotonation step using n‐butyllithium, the in‐situ generated LiP(O)RR’ undergoes further condensation with a wide variety of electrophiles, and without a cyclisation step into the alkyne as a side reaction. In particular, the addition to aldehydes proceeds quickly and gives access to α‐hydroxy phosphine oxides, with a diastereoselectivity rate up to 80/20.
Real‐Time Monitoring of Hydrogen Production by Water Electrolysis Using a Tapered Polarization‐Maintaining Optical Fiber Mach–Zehnder Interferometer
Authors: Wan Hao , Long Gang , Yang Siyuan , Niu Kunpeng , Lyu Dajuan , Liao Zhaolong , Shui Biao , Zhou Ai , Wang Ning
Published: July 2022

Gas microbubbles easily cover surface active sites of the solid electrodes in most gas evolution reactions, hindering the transfer of mass and energy and declining the reaction efficiency. However, online monitoring of gas bubbles’ behaviors on the surface of solid electrodes accurately in real time remains challenging. Herein, a tapered polarization‐maintaining fiber Mach–Zehnder interferometer for in situ monitoring of H2 bubbles detachment in water electrolysis is reported. In the experiment, the H2 bubble released from the platinum microelectrode can be detected by recording the variation of transmitted optical power in the optical fiber. By comparing it with the electrochemical measurement and the charge‐coupled device imaging, the measurement accuracy can be regarded as near 100%, and the time resolution is determined to be ≈ms. It is found that the size of the detached bubbles on the microelectrode surface is positively correlated with the electrolysis voltage. The increasing electrolysis time causes a long detachment time. Three different charged surfactants are all proved to accelerate the H2 detachment. This method is adapted to study gas bubble behaviors in various complex gas‐involving reaction systems, even for the invisible gas bubbles in a dark environment.
Strong Optical Excitation and High Thermoelectric Performance in 2D Holey‐Phosphorene Monolayer
Authors: Khossossi Nabil , Singh Deobrat , Luo Wei , Ahuja Rajeev
Published: July 2022

Through density functional theory (DFT)‐based computations, a systematic exploration of the newly predicted 2D phosphorene allotrope, namely holey‐phosphorene (HP), is carried out. It is revealed that HP shows a semiconducting nature with an indirect bandgap of 0.83 eV upon Perdew‐Burke‐Ernzerhof (PBE) functional. Then, to survey the optical features, a (G0W0)‐based approach is employed to solve the Bethe–Salpeter equation to derive the intra‐layer excitonic effects. It is derived via the absorption spectrum, that HP presents an excitonic binding strength of 1.47/1.96 eV along the x/y‐direction with the first peak of the absorption at 0.92/0.43 eV for the x/y‐direction. The thermoelectric properties are also explored in detail and reveal a very high thermal power value along with an enhanced figure of merit (ZT) of about 3.6. The 2D HP monolayer for thermoelectric performance has high thermoelectric conversion efficiency (TCE) and is estimated to be about 22. All these outstanding findings may be attributed to the quantum confinement effect of the porous geometry of the 2D HP nanosheet, thereby confirming its relevance as a prospect for high‐performance optoelectronic and thermoelectric engineering systems.
High‐Wettability Composite Separator Embedded with in Situ Grown TiO2 Nanoparticles for Advanced Sodium‐Ion Batteries
Authors: Zhu Tianming , Zuo Xiaoxi , Lin Xiaoxin , Su Zhuoying , Li Jia , Zeng Ronghua , Nan Junmin
Published: July 2022

The separator, as an important inner part of the sodium‐ion battery (SIB), has a significant impact on the electrochemical performance and security of the battery. However, conventional polyolefin separators are inapplicable for SIBs due to their poor wettability to liquid electrolytes and unsatisfactory heat resistance. To address these problems, a novel polyethylene (PE)‐ hydroxyethyl cellulose (HEC)‐TiO2 composite separator modified on the PE matrix is proposed and successfully prepared by a multistep synthesis procedure of HEC coating and TiO2 in situ self‐growth, while almost maintaining the initial separator thickness. Compared with conventional PE separators, this composite separator possesses remarkable wettability which benefits from the introduction of a polar HEC‐TiO2‐incorporated coating. Besides, thanks to a significant improvement in wettability, the separator presents high electrolyte uptake of up to 186.5% and an extraordinary ionic conductivity of 0.342 mS cm−1. As expected, a Na|Na3V2(PO4)3 battery with the PE‐HEC‐TiO2 separator exhibits a reversible capacity of 99.0 mAh g−1 and a capacity retention of 94.8% after 1000 cycles at 5 C with a steady Coulombic efficiency of nearly 100%. These brilliant performances convincingly make it a promising separator for advanced SIBs with high reversibility, high capacity, and long life.
Somatic mutations reveal complex metastatic seeding from multifocal primary prostate cancer
Authors: Carm Kristina T. , Johannessen Bjarne , Bogaard Mari , Bakken Anne Cathrine , Maltau Aase V. , Hoff Andreas M. , Axcrona Ulrika , Axcrona Karol , Lothe Ragnhild A. , Skotheim Rolf I.
Published: July 2022

Primary prostate cancer shows a striking intraorgan molecular heterogeneity, with multiple spatially separated malignant foci in the majority of patients. Metastatic prostate cancer, however, typically reveals more homogenous molecular profiles, suggesting a monoclonal origin of the metastatic lesions. Longitudinal mutational spectra, comparing multiple primary lesions with metastases from the same patients remain poorly defined. We have here analyzed somatic mutations in multisampled, spatio‐temporal biobanked lesions (38 samples from primary foci and 1 sample from each of 8 metastases from seven prostate cancer patients) applying a custom‐designed panel targeting 68 prostate cancer relevant genes. The metastatic samples were taken at time of primary surgery and up to 7 years later, and sampling included circulating tumor DNA in plasma or solid metastatic tissue samples. A total of 282 somatic mutations were detected, with a range of 0 to 25 mutations per sample. Although seven samples had solely private mutations, the remaining 39 samples had both private and shared mutations. Seventy‐four percent of mutations in metastases were not found in any primary samples, and vice versa, 96% of mutations in primary cancers were not found in any metastatic samples. However, for three patients, shared mutations were found suggesting the focus of origin, including mutations in AKT1, FOXA1, HOXB13, RB1 and TP53. In conclusion, the spatio‐temporal heterogeneous nature of multifocal disease is emphasized in our study, and underlines the importance of testing a recent sample in genomics‐based precision medicine for metastatic prostate cancer.
A standardised nomenclature for long non‐coding RNAs
Authors: Seal Ruth L. , Tweedie Susan , Bruford Elspeth A.
Published: July 2022

The HUGO Gene Nomenclature Committee (HGNC) is the sole group with the authority to approve symbols for human genes, including long non‐coding RNA (lncRNA) genes. Use of approved symbols ensures that publications and biomedical databases are easily searchable and reduces the risks of confusion that can be caused by using the same symbol to refer to different genes or using many different symbols for the same gene. Here, we describe how the HGNC names lncRNA genes and review the nomenclature of the seven lncRNA genes most mentioned in the scientific literature.
Biosynthesis of uridine diphosphate N‐Acetylglucosamine: An underexploited pathway in the search for novel antibiotics?
Authors: Wyllie Jessica A. , McKay Mirrin V. , Barrow Andrew S. , Soares da Costa Tatiana P.
Published: July 2022

Although the prevalence of antibiotic resistance is increasing at an alarming rate, there are a dwindling number of effective antibiotics available. Thus, the development of novel antibacterial agents should be of utmost importance. Peptidoglycan biosynthesis has been and is still an attractive source for antibiotic targets; however, there are several components that remain underexploited. In this review, we examine the enzymes involved in the biosynthesis of one such component, UDP‐N‐acetylglucosamine, an essential building block and precursor of bacterial peptidoglycan. Furthermore, given the presence of a similar biosynthesis pathway in eukaryotes, we discuss the current knowledge on the differences and similarities between the bacterial and eukaryotic enzymes. Finally, this review also summarises the recent advances made in the development of inhibitors targeting the bacterial enzymes.
Diet X Gene Interactions Control Femoral Bone Adaptation to Low Dietary Calcium
Authors: Chanpaisaeng Krittikan , Reyes‐Fernandez Perla C. , Dilkes Brian , Fleet James C.
Published: July 2022

Genetics and dietary calcium (Ca) are each critical regulators of peak bone mass but it is unclear how genetics alters the physiologic response of bone to dietary Ca restriction (RCR). Here, we conducted genetic mapping in C57BL/6J × DBA/2J (BXD) recombinant inbred mouse lines to identify environmentally sensitive loci controlling whole‐bone mass (bone mineral density [BMD], bone mineral content [BMC]), distal trabecular bone, and cortical bone midshaft of the femur. Mice were fed adequate (basal) or low Ca diets from 4–12 weeks of age. Femurs were then examined by dual‐energy X‐ray absorptiometry (DXA) and micro‐computed tomography (μCT). Body size–corrected residuals were used for statistical analysis, genetic mapping, and to estimate narrow sense heritability (h2). Genetics had a strong impact on femoral traits (eg, bone volume fraction [BV/TV] basal Ca, h2 = 0.60) as well as their RCR (eg, BV/TV, h2 = 0.32). Quantitative trait locus (QTL) mapping identified up to six loci affecting each bone trait. A subset of loci was detected in both diet groups, providing replication of environmentally robust genetic effects. Several loci control multiple bone phenotypes suggesting the existence of genetic pleiotropy. QTL controlling the bone RCR did not overlap with basal diet QTL, demonstrating genetic independence of those traits. Candidate genes underlying select multi‐trait loci were prioritized by protein coding effects or gene expression differences in bone cells. These include candidate alleles in Rictor (chromosome [chr] 15) and Egfl7 (chr 2) at loci affecting bone in the basal or low Ca groups and in Msr1 (chr 8), Apc, and Camk4 (chr 18) at loci affecting RCR. By carefully controlling dietary Ca and measuring traits in age‐matched mice we identified novel genetic loci determining bone mass/microarchitecture of the distal femur as well as their physiologic adaptation to inadequate dietary Ca intake. © 2022 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Autosomal Dominant Hypocalcemia Type 1: A Systematic Review
Authors: Roszko Kelly L , Stapleton Smith Lyndsay M , Sridhar Ananth V , Roberts Mary Scott , Hartley Iris R , Gafni Rachel I , Collins Michael T , Fox Jonathan C , Nemeth Edward F
Published: July 2022

Autosomal dominant hypocalcemia type 1 (ADH1) is a rare form of hypoparathyroidism due to activating variants of the calcium-sensing receptor gene (CASR). Inherited or de novo activating variants of the CASR alter the set point for extracellular calcium, resulting in inadequate parathyroid hormone (PTH) secretion and inappropriate renal calcium excretion leading to hypocalcemia and hypercalciuria. Conventional therapy includes calcium and activated vitamin D, which can worsen hypercalciuria, resulting in renal complications. A systematic literature review, using published reports from 1994 to 2021, was conducted to catalog CASR variants, to define the ADH1 clinical spectrum, and to determine the effect of treatment on patients with ADH1. There were 113 unique CASR variants reported, with a general lack of genotype/phenotype correlation. Clinical data were available in 191 patients; 27% lacked symptoms, 32% had mild/moderate symptoms, and 41% had severe symptoms. Seizures, the most frequent clinical presentation, occurred in 39% of patients. In patients with blood and urine chemistries available at the time of diagnosis (n = 91), hypocalcemia (99%), hyperphosphatemia (59%), low PTH levels (57%), and hypercalciuria (34%) were observed. Blood calcium levels were significantly lower in patients with severe symptoms compared with asymptomatic patients (6.8 ± 0.7 versus 7.6 ± 0.7 mg/dL [mean ± SD]; p < 0.0001), and the age of presentation was significantly lower in severely symptomatic patients (9.1 ± 15.0 versus 19.3 ± 19.4 years; p < 0.01). Assessments for complications including nephrocalcinosis, nephrolithiasis, renal impairment, and brain calcifications in 57 patients on conventional therapy showed that 75% had at least one complication. Hypercalciuria was associated with nephrocalcinosis, nephrolithiasis, renal impairment, or brain calcifications (odds ratio [OR] = 9.3; 95% confidence interval [CI] 2.4–37.2; p < 0.01). In 27 patients with urine calcium measures before and after starting conventional therapy, the incidence of hypercalciuria increased by 91% (p < 0.05) after therapy initiation. ADH1 is a condition often associated with severe symptomatology at presentation with an increase in the risk of renal complications after initiation of conventional therapy. © 2022 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
Disrupted Sleep Architecture Is Associated With Incident Bone Loss in Indian Postmenopausal Women: A Prospective Study
Authors: Cherian Kripa Elizabeth , Kapoor Nitin , Paul Thomas Vizhalil
Published: July 2022

Inadequate sleep has been shown to be detrimental to several body systems, including the bone. We proposed to study the impact of insomnia on bone health in Indian postmenopausal women. In a 2-year prospective study, ambulant community-dwelling postmenopausal women aged >50 years were recruited through simple random sampling. Sleep duration was recorded based on self-reported sleep duration and sleep quality using the Women's Health Initiative Insomnia Rating Scale (WHIIRS). Anthropometry, bone biochemistry including bone turnover markers (C-terminal telopeptide of type 1 collagen [CTX], N-terminal telopeptide of type 1 pro-collagen [P1NP]), bone mineral density (BMD), and trabecular bone score (TBS) were assessed at baseline and at the end of 2 years. Among 190 postmenopausal women with mean (SD) age of 58.2 (6.9) years, 65/190 (34.2%) had insomnia (WHIIRS ≥ 9) and 20/190 (10.5%) developed osteoporosis at any site on follow-up. The percentage decline over 2 years in BMD in women with insomnia was significantly (p < 0.001) higher at femoral neck (2.9 [1.6] versus 1.2 [1.2]%) and lumbar spine (4.5 [2.0] versus 1.6 [1.1]%). The decrement in TBS was also significantly higher (p < 0.001) in women with suboptimal sleep (1.5 [2.1] versus 0.5 [1.0] %) when compared with those with adequate sleep. The increment in CTX (46.4 [32.2] versus 18.9 [26.4]) and decrement in P1NP (35.4 [9.1] versus 16.7 [18.9]), respectively, were also greater (p < 0.001) in women with insomnia compared with those without. On multivariate analysis, insomnia was the sole factor that was predictive (adjusted odds ratio [OR] = 9.3; 95% confidence interval [CI] 2.9–29.6; p < 0.001) of incident osteoporosis. In conclusion, poor sleep quality was associated with incident osteoporosis in Indian postmenopausal women. Optimal sleep may help to retard ongoing bone loss that results from sleep deprivation and requires further research. © 2022 American Society for Bone and Mineral Research (ASBMR).
Hydrogen‐atom tunneling reactions in solid para‐hydrogen and their applications to astrochemistry
Authors: Haupa Karolina Anna , Joshi Prasad Ramesh , Lee Yuan‐Pern
Published: July 2022

H‐atom tunneling reactions play important roles in astrochemistry, but an understanding of these reactions is still in its infancy. The unique properties associated with quantum solid para‐hydrogen provide an effective environment for the generation and reactions in situ of H atoms at low temperature. Several techniques have been employed to generate H atoms to study astrochemically relevant systems that provide significant insight into the formation of complex organic molecules (COM) and help to explain the relations between the abundance of some pairs of stable species. These results introduce new concepts in astrochemistry, including H‐induced H abstraction, H‐induced fragmentation, and H‐induced uphill isomerization in darkness that have been overlooked previously. This mini‐review summarizes the state of the art in this field, discussing fundamental understanding and techniques concerning H‐atom generation, H‐tunneling reactions, and their applications; the perspectives and open questions that await further exploration are discussed.
Ag substituted LaCoO3 perovskites as precursors for the catalytic hydrogenation of levulinic acid
Authors: Seguel Juan , Cancino Ximena , de León J. Noe Díaz , Delgado Eduardo J , Sepúlveda Catherine , Pecchi Gina
Published: July 2022

BACKGROUND

Perovskite‐type mixed oxides with the formula La1‐xAgxCoO3 (xAg = 0.05, 0.10, 0.20) were successfully used as precursors to prepare cobalt nanoparticle catalysts for use in the catalytic hydrogenation of levulinic acid (LA). The calcined, reduced, and post reaction catalysts were characterized by X‐ray diffraction, N2 adsorption isotherms at −196 °C, H2‐Temperature programmed reduction, NH3‐Temperature programmed desorption, H2 chemisorption, and X‐ray photoelectron spectroscopy. The catalytic performance was evaluated in a batch reactor at 50 bar of H2 at different temperatures to determine the kinetic parameters.

RESULTS

An increase in the reducibility of the perovskite and Co3+ species contents was detected upon the silver doping. The highest catalytic activity was observed for the perovskite with xAg = 0.20 and this activity was attributed to the high content of metallic cobalt.

CONCLUSION

The active site corresponds to surface metallic cobalt and the presence of silver increases the amount of reduced cobalt. The high hydrogenating capacity of metallic cobalt explains the 100% selectivity towards gamma valero lactone of the synthesized catalysts. © 2022 Society of Chemical Industry (SCI).
A review on low‐cost microscopes for Open Science
Authors: Salido Jesus , Bueno Gloria , Ruiz‐Santaquiteria Jesus , Cristobal Gabriel
Published: July 2022

This article presents a review after an exhaustive search that yielded 23 works carried out in the last decade for the availability of optical microscopes with open hardware as a low‐cost alternative to commercial systems. These works were developed with the aim of covering needs within several areas such as: Bio Sciences research in institutions with limited resources, diagnosis of diseases and health screenings in large populations in developing countries, and training in educational contexts with a need for high availability of equipment and low replacement cost. The analysis of the selected works allows us to classify the analyzed solutions into two main categories, for which their essential characteristics are enumerated: portable field microscopes and multipurpose automated microscopes. Moreover, this work includes a discussion on the degree of maturity of the solutions in terms of the adoption of practices aligned with the development of Open Science.

Research Highlights

Concise review on low‐cost microscopes for developing Open Science, exposing the role of smartphone‐based microscopy. The work classifies microscopes in two main categories: (1) portable field microscopes, and (2) multipurpose automated microscopes.
A secretory form of Parkin‐independent mitophagy contributes to the repertoire of extracellular vesicles released into the tumour interstitial fluid in vivo
Authors: Howard Marissa , Erickson James , Cuba Zachary , Kim Shawn , Zhou Weidong , Gade Purva , Carter Rachel , Mitchell Kelsey , Branscome Heather , Siddhi Daivik , Alanazi Fatimah , Kim Yuriy , Araujo Robyn P. , Haymond Amanda , Luchini Alessandra , Kashanchi Fatah , Liotta Lance A.
Published: July 2022

We characterized the in vivo interstitial fluid (IF) content of extracellular vesicles (EVs) using the GFP‐4T1 syngeneic murine cancer model to study EVs in‐transit to the draining lymph node. GFP labelling confirmed the IF EV tumour cell origin. Molecular analysis revealed an abundance of IF EV‐associated proteins specifically involved in mitophagy and secretory autophagy. A set of proteins required for sequential steps of fission‐induced mitophagy preferentially populated the CD81+/PD‐L1+ IF EVs; PINK1, TOM20, and ARIH1 E3 ubiquitin ligase (required for Parkin‐independent mitophagy), DRP1 and FIS1 (mitochondrial peripheral fission), VDAC‐1 (ubiquitination state triggers mitophagy away from apoptosis), VPS35, SEC22b, and Rab33b (vacuolar sorting). Comparing in vivo IF EVs to in vitro EVs revealed 40% concordance, with an elevation of mitophagy proteins in the CD81+ EVs for both murine and human cell lines subjected to metabolic stress. The export of cellular mitochondria proteins to CD81+ EVs was confirmed by density gradient isolation from the bulk EV isolate followed by anti‐CD81 immunoprecipitation, molecular sieve chromatography, and MitoTracker export into CD81+ EVs. We propose the 4T1 in vivo model as a versatile tool to functionally characterize IF EVs. IF EV export of fission mitophagy proteins has broad implications for mitochondrial function and cellular immunology.
Stable isotopes of nitrate record effects of the 2015–2016 El Niño and diatom iron limitation on nitrogen cycling in the eastern North Pacific Ocean
Authors: White Margot E. , Rafter Patrick A. , Stephens Brandon M. , Mazloff Matthew R. , Wankel Scott D. , Aluwihare Lihini I.
Published: July 2022

In eastern boundary current systems, strong coastal upwelling brings deep, nutrient‐rich waters to the surface ocean, supporting a productive food web. The nitrate load in water masses that supply the region can be impacted by a variety of climate‐related processes that subsequently modulate primary productivity. In this study, two coastal upwelling regimes along central and southern California were sampled seasonally for nitrogen and oxygen stable isotopes of nitrate (i.e., nitrate isotopes) over several years (2010–2016) on 14 California Cooperative Oceanic Fisheries Investigations (CalCOFI) cruises. Seasonal, interannual, and spatial variations in euphotic zone nitrate isotopes were largely driven by the extent of nitrate utilization, sometimes linked to iron limitation of diatom productivity. Pronounced isotopic enrichment developed with the El Niño conditions in late 2015 and early 2016 which likely resulted from increased nitrate utilization linked to reduced nitrate supply to the euphotic zone. Differential enrichment of nitrogen and oxygen isotopes was observed in the surface ocean, suggesting that phytoplankton increased their reliance on locally nitrified (recycled) nitrate during warmer and more stratified periods. Overall, nitrate isotopes effectively differentiated important euphotic zone processes such as nitrate assimilation and nitrification, while archiving the influence of disparate controls such as iron limitation and climatic events through their effects on nitrate utilization and isotopic fractionation.
Early Changes in Striatal Activity and Motor Kinematics in a Huntington's Disease Mouse Model
Authors: Koch Ellen T. , Sepers Marja D. , Cheng Judy , Raymond Lynn A.
Published: July 2022

Background

Huntington's disease is a progressive neurodegenerative disorder with no disease‐modifying treatments. Patients experience motor, cognitive, and psychiatric disturbances, and the dorsal striatum is the main target of neurodegeneration. Mouse models of Huntington's disease show altered striatal synaptic signaling in vitro, but how these changes relate to behavioral deficits in vivo is unclear.

Objectives

We aimed to investigate how striatal activity correlates with behavior in vivo during motor learning and spontaneous behavior in a Huntington's disease mouse model at two disease stages.

Methods

We used fiber photometry to record jGCaMP7f fluorescence, a read‐out of neuronal activity, in the dorsal striatum of YAC128 (yeast artificial chromosome‐128CAG) mice during accelerating rotarod and open‐field behavior.

Results

Mice showed increased striatal activity on the rotarod, which diminished by late stages of learning, leading to an inverse correlation between latency to fall and striatal activity. The 2‐ to 3‐month‐old YAC128 mice did not show a deficit in latency to fall, but displayed significant differences in paw kinematics, including increased paw slip frequency and variability in paw height. These mice exhibited a weaker correlation between latency to fall and striatal activity and aberrant striatal activity during paw slips. At 6 to 7 months, the YAC128 mice showed significantly reduced latency to fall, impaired paw kinematics, and increased striatal activity while on the rotarod. In the open field, the YAC128 mice showed elevated neuronal activity at rest.

Conclusions

We uncovered impaired motor coordination at a stage thought to be premotor manifest in YAC128 mice and aberrant striatal activity during the accelerating rotarod and open‐field exploration. © 2022 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society