bluuebunny/crossref_metadata_2025 huggingface dataset:
Solar Flux Dependence of Upper Thermosphere Diurnal Variations: Observed and Modeled
Authors: Thayer Jeffrey P. , Waldron Zachary C. , Sutton Eric K.
Published: February 2023

Upper thermosphere mass density over the declining phase of solar cycle 23 is investigated using a day‐to‐night ratio (DNR) of thermosphere properties to evaluate how much relative change occurs climatologically between day and night. Challenging Minisatellite Payload (CHAMP) observations from 2002 to 2009, MSIS 2.0 output, and TIEGCM V2.0 simulations are analyzed to assess their relative response in DNR. The CHAMP observations demonstrate nightside densities decrease more significantly than dayside densities as solar flux decreases. This causes a steadily increasing CHAMP mass density DNR from around two to greater than four with decreasing solar flux. The MSIS 2.0 nightside densities decrease, with decreasing solar flux, more significantly than the dayside, resulting in the same trend as CHAMP. TIEGCM V2.0 displays an opposite trend in density DNR with decreasing solar flux due to dayside densities decreasing more significantly than nightside densities. A sensitivity analysis of the two models reveals the TIEGCM V2.0 to have greater sensitivity in temperature to levels of solar flux, while MSIS 2.0 displayed a greater sensitivity in mean molecular weight. The pressure DNR from both models contributed the most to the density DNR value at 400 km. As solar flux decreases, the two models' estimate of pressure DNR deviate appreciably and trend in opposite directions. The TIEGCM V2.0 dayside temperatures during middle‐to‐low solar flux are too cold relative to MSIS 2.0. Increasing the dayside temperature values by about 50–100 K and decreasing the nightside temperature slightly would bring the TIEGCM V2.0 into better agreement with MSIS 2.0 and CHAMP observations.
SwinVRNN: A Data‐Driven Ensemble Forecasting Model via Learned Distribution Perturbation
Authors: Hu Yuan , Chen Lei , Wang Zhibin , Li Hao
Published: February 2023

The data‐driven approaches for medium‐range weather forecasting are recently shown to be extraordinarily promising for ensemble forecasting due to their fast inference speed compared to the traditional numerical weather prediction models. However, their forecast accuracy can hardly match the state‐of‐the‐art operational ECMWF Integrated Forecasting System (IFS) model. Previous data‐driven approaches perform ensemble forecasting using some simple perturbation methods, like the initial condition perturbation and the Monte Carlo dropout. However, their ensemble performance is often limited arguably by the sub‐optimal ways of applying perturbation. We propose a Swin Transformer‐based Variational Recurrent Neural Network (SwinVRNN), which is a stochastic weather forecasting model combining a SwinRNN predictor with a perturbation module. SwinRNN is designed as a Swin Transformer‐based recurrent neural network, which predicts the future states deterministically. Furthermore, to model the stochasticity in the prediction, we design a perturbation module following the Variational Auto‐Encoder paradigm to learn the multivariate Gaussian distributions of a time‐variant stochastic latent variable from the data. Ensemble forecasting can be easily performed by perturbing the model features leveraging the noise sampled from the learned distribution. We also compare four categories of perturbation methods for ensemble forecasting, that is, fixed distribution perturbation, learned distribution perturbation, MC dropout, and multi model ensemble. Comparisons on the WeatherBench data set show that the learned distribution perturbation method using our SwinVRNN model achieves remarkably improved forecasting accuracy and reasonable ensemble spread due to the joint optimization of the two targets. More notably, SwinVRNN surpasses operational IFS on the surface variables of the 2‐m temperature and the 6‐hourly total precipitation at all lead times up to 5 days (Code is available at https://github.com/tpys/wwprediction).
Combining Remotely Sensed Evapotranspiration and an Agroecosystem Model to Estimate Center‐Pivot Irrigation Water Use at High Spatio‐Temporal Resolution
Authors: Zhang Jingwen , Guan Kaiyu , Zhou Wang , Jiang Chongya , Peng Bin , Pan Ming , Grant Robert F. , Franz Trenton E. , Suyker Andrew , Yang Yi , Chen Xiaohong , Lin Kairong , Ma Zewei
Published: February 2023

Estimating irrigation water use accurately is critical for sustainable irrigation and studying terrestrial water cycle in irrigated croplands. However, irrigation is not monitored in most places, and current estimations of irrigation water use has coarse spatial and/or temporal resolutions. This study aims to estimate irrigation water use at the daily and field scale through the proposed model‐data fusion framework, which is achieved by particle filtering with two configurations (concurrent, CON, and sequential, SEQ) by assimilating satellite‐based evapotranspiration (ET) observations into an advanced agroecosystem model, ecosys. Two types of experiments using synthetic and real ET observations were conducted to study the efficacy of the proposed framework for estimating irrigation water use at the irrigated fields in eastern and western Nebraska, United States. The experiments using synthetic ET observations indicated that, for two major sources of uncertainties of ET difference between observations and model simulations, which are bias and noise, noise had larger impacts on degrading the estimation performance of irrigation water use than bias. For the experiments using real ET observations, monthly and annual estimations of irrigation water use matched well with farmer irrigation records, with Pearson correlation coefficient (r) around 0.80 and 0.50, respectively. Although detecting daily irrigation records was very challenging, our method still gave a good performance with RMSE, BIAS, and r around 2.90, 0.03, and 0.4 mm/d, respectively. Our proposed model‐data fusion framework for estimating irrigation water use at high spatio‐temporal resolution could contribute to regional water management, sustainable irrigation, and better tracking terrestrial water cycle.
Immunophenotypic aberrant hematopoietic stem cells in myelodysplastic syndromes: a biomarker for leukemic progression
Authors: van Spronsen Margot F. , Hanekamp Diana , Westers Theresia M. , van Gils Noortje , Vermue Eline , Rutten Arjo , Jansen Joop H. , Lissenberg-Witte Birgit I. , Smit Linda , Schuurhuis Gerrit J. , van de Loosdrecht Arjan A.
Published: February 2023

Myelodysplastic syndromes (MDS) comprise hematological disorders that originate from the neoplastic transformation of hematopoietic stem cells (HSCs). However, discrimination between HSCs and their neoplastic counterparts in MDS-derived bone marrows (MDS-BMs) remains challenging. We hypothesized that in MDS patients immature CD34+CD38− cells with aberrant expression of immunophenotypic markers reflect neoplastic stem cells and that their frequency predicts leukemic progression. We analyzed samples from 68 MDS patients and 53 controls and discriminated HSCs from immunophenotypic aberrant HSCs (IA-HSCs) expressing membrane aberrancies (CD7, CD11b, CD22, CD33, CD44, CD45RA, CD56, CD123, CD366 or CD371). One-third of the MDS-BMs (23/68) contained IA-HSCs. The presence of IA-HSCs correlated with perturbed hematopoiesis (disproportionally expanded CD34+ subsets beside cytopenias) and an increased hazard of leukemic progression (HR = 25, 95% CI: 2.9–218) that was independent of conventional risk factors. At 2 years follow-up, the sensitivity and specificity of presence of IA-HSCs for predicting leukemic progression was 83% (95% CI: 36–99%) and 71% (95% CI: 58–81%), respectively. In a selected cohort (n = 10), most MDS-BMs with IA-HSCs showed genomic complexity and high human blast counts following xenotransplantation into immunodeficient mice, contrasting MDS-BMs without IA-HSCs. This study demonstrates that the presence of IA-HSCs within MDS-BMs predicts leukemic progression, indicating the clinical potential of IA-HSCs as a prognostic biomarker.
Massively parallel electro-optic sampling of space-encoded optical pulses for ultrafast multi-dimensional imaging
Authors: Na Yongjin , Kwak Hyunsoo , Ahn Changmin , Lee Seung Eon , Lee Woojin , Kang Chu-Shik , Lee Jungchul , Suh Junho , Yoo Hongki , Kim Jungwon
Published: February 2023

High-speed and high-resolution imaging of surface profiles is critical for the investigation of various structures and mechanical dynamics of micro- and nano-scale devices. In particular, recent emergence of various nonlinear, transient and complex mechanical dynamics, such as anharmonic vibrations in mechanical resonators, has necessitated real-time surface deformation imaging with higher axial and lateral resolutions, speed, and dynamic range. However, real-time capturing of fast and complex mechanical dynamics has been challenging, and direct time-domain imaging of displacements and mechanical motions has been a missing element in studying full-field structural and dynamic behaviours. Here, by exploiting the electro-optic sampling with a frequency comb, we demonstrate a line-scan time-of-flight (TOF) camera that can simultaneously measure the TOF changes of more than 1000 spatial coordinates with hundreds megapixels/s pixel-rate and sub-nanometre axial resolution over several millimetres field-of-view. This unique combination of performances enables fast and precise imaging of both complex structures and dynamics in three-dimensional devices and mechanical resonators.
Genetic correlates of vitamin D-binding protein and 25-hydroxyvitamin D in neonatal dried blood spots
Authors: Albiñana Clara , Zhu Zhihong , Borbye-Lorenzen Nis , Boelt Sanne Grundvad , Cohen Arieh S. , Skogstrand Kristin , Wray Naomi R. , Revez Joana A. , Privé Florian , Petersen Liselotte V. , Bulik Cynthia M. , Plana-Ripoll Oleguer , Musliner Katherine L. , Agerbo Esben , Børglum Anders D. , Hougaard David M. , Nordentoft Merete , Werge Thomas , Mortensen Preben Bo , Vilhjálmsson Bjarni J. , McGrath John J.
Published: February 2023

The vitamin D binding protein (DBP), encoded by the group-specific component (GC) gene, is a component of the vitamin D system. In a genome-wide association study of DBP concentration in 65,589 neonates we identify 26 independent loci, 17 of which are in or close to the GC gene, with fine-mapping identifying 2 missense variants on chromosomes 12 and 17 (within SH2B3 and GSDMA, respectively). When adjusted for GC haplotypes, we find 15 independent loci distributed over 10 chromosomes. Mendelian randomization analyses identify a unidirectional effect of higher DBP concentration and (a) higher 25-hydroxyvitamin D concentration, and (b) a reduced risk of multiple sclerosis and rheumatoid arthritis. A phenome-wide association study confirms that higher DBP concentration is associated with a reduced risk of vitamin D deficiency. Our findings provide valuable insights into the influence of DBP on vitamin D status and a range of health outcomes.
Photocatalytic cyclohexane oxidation and epoxidation using hedgehog particles
Authors: Montjoy Douglas G. , Wilson Elizabeth A. K. , Hou Harrison , Graves Joel D. , Kotov Nicholas A.
Published: February 2023

Inorganic particles are effective photocatalysts for the liquid-state production of organic precursors and monomers at ambient conditions. However, poor colloidal stability of inorganic micro- and nanoparticles in low-polarity solvents limits their utilization as heterogeneous catalysts and coating them with surfactants drastically reduces their catalytic activity. Here we show that effective photo-oxidation of liquid cyclohexane (CH) is possible using spiky particles from metal oxides with hierarchical structure combining micro- and nanoscale structural features engineered for enhanced dispersibility in CH. Nanoscale ZnO spikes are assembled radially on α-Fe2O3 microcube cores to produce complex ‘hedgehog’ particles (HPs). The ‘halo’ of stiff spikes reduces van der Waals attraction, preventing aggregation of the catalytic particles. Photocatalysis in Pickering emulsions formed by HPs with hydrogen peroxide provides a viable pathway to energy-efficient alkane oxidation in the liquid state. Additionally, HPs enable a direct chemical pathway from alkanes to epoxides at ambient conditions, specifically to cyclohexene oxide, indicating that the structure of HPs has a direct effect on the recombination of ion-radicals during the hydrocarbon oxidation. These findings demonstrate the potential of inorganic photocatalysts with complex architecture for ‘green’ catalysis.
Retinoids stored locally in the lung are required to attenuate the severity of acute lung injury in male mice
Authors: Shmarakov Igor O. , Gusarova Galina A. , Islam Mohammad N. , Marhuenda-Muñoz María , Bhattacharya Jahar , Blaner William S.
Published: February 2023

Retinoids are potent transcriptional regulators that act in regulating cell proliferation, differentiation, and other cellular processes. We carried out studies in male mice to establish the importance of local cellular retinoid stores within the lung alveolus for maintaining its health in the face of an acute inflammatory challenge induced by intranasal instillation of lipopolysaccharide. We also undertook single cell RNA sequencing and bioinformatic analyses to identify roles for different alveolar cell populations involved in mediating these retinoid-dependent responses. Here we show that local retinoid stores and uncompromised metabolism and signaling within the lung are required to lessen the severity of an acute inflammatory challenge. Unexpectedly, our data also establish that alveolar cells other than lipofibroblasts, specifically microvascular endothelial and alveolar epithelial cells, are able to take up lipoprotein-transported retinoid and to accumulate cellular retinoid stores that are directly used to respond to an acute inflammatory challenge.
Synergistic effect of crevice corrosion and galvanic coupling on 304SS fasteners degradation in chloride environments
Authors: Daniel Enobong Felix , Wang Changgang , Li Chao , Dong Junhua , Zhang Dongjiu , Zhong Wenan , Zhong Sheng , Udoh Inime Ime , Okafor Peter Chukwuemeka
Published: February 2023

The synergistic effect of crevice corrosion and galvanic coupling on the degradation of 304 stainless steel fasteners exposed to a chloride environment was investigated using electrochemical and surface analysis techniques. Results obtained revealed that the crevice region of the fastener showed lower corrosion resistance due to decreased surface passivation induced by the crevice geometry and low oxygen conditions, while the exposed region with a higher oxygen supply exhibited improved corrosion resistance. Coupling of the exposed and crevice regions of the fastener demonstrated accelerated corrosion attributable to galvanic effect. The driving force for the galvanic effect on the fastener was linked to three (3) key factors: (I) the potential difference established between the different regions on the fastener surface due to uneven oxygen distribution, (II) the difference in the solution environment, and (III) the difference in surface properties (active-passive surface). Morphological studies showed localised corrosion occurring mainly in the crevice.
Suppressed basal melting in the eastern Thwaites Glacier grounding zone
Authors: Davis Peter E. D. , Nicholls Keith W. , Holland David M. , Schmidt Britney E. , Washam Peter , Riverman Kiya L. , Arthern Robert J. , Vaňková Irena , Eayrs Clare , Smith James A. , Anker Paul G. D. , Mullen Andrew D. , Dichek Daniel , Lawrence Justin D. , Meister Matthew M. , Clyne Elisabeth , Basinski-Ferris Aurora , Rignot Eric , Queste Bastien Y. , Boehme Lars , Heywood Karen J. , Anandakrishnan Sridhar , Makinson Keith
Published: February 2023

Thwaites Glacier is one of the fastest-changing ice–ocean systems in Antarctica1–3. Much of the ice sheet within the catchment of Thwaites Glacier is grounded below sea level on bedrock that deepens inland4, making it susceptible to rapid and irreversible ice loss that could raise the global sea level by more than half a metre2,3,5. The rate and extent of ice loss, and whether it proceeds irreversibly, are set by the ocean conditions and basal melting within the grounding-zone region where Thwaites Glacier first goes afloat3,6, both of which are largely unknown. Here we show—using observations from a hot-water-drilled access hole—that the grounding zone of Thwaites Eastern Ice Shelf (TEIS) is characterized by a warm and highly stable water column with temperatures substantially higher than the in situ freezing point. Despite these warm conditions, low current speeds and strong density stratification in the ice–ocean boundary layer actively restrict the vertical mixing of heat towards the ice base7,8, resulting in strongly suppressed basal melting. Our results demonstrate that the canonical model of ice-shelf basal melting used to generate sea-level projections cannot reproduce observed melt rates beneath this critically important glacier, and that rapid and possibly unstable grounding-line retreat may be associated with relatively modest basal melt rates.
Fetal growth restriction followed by early catch-up growth impairs pancreatic islet morphology in male rats
Authors: Jabary Mahboba , Onoda Atsuto , Kitase Yuma , Ueda Kazuto , Mimatsu Haruka , Go Shoji , Miura Ryosuke , Tsuji Masahiro , Takahashi Yoshiyuki , Hayakawa Masahiro , Sato Yoshiaki
Published: February 2023

Fetal growth restriction (FGR), followed by postnatal early catch-up growth, is associated with an increased risk of metabolic dysfunction, including type 2 diabetes in humans. This study aims to determine the effects of FGR and early catch-up growth after birth on the pathogenesis of type 2 diabetes, with particular attention to glucose tolerance, pancreatic islet morphology, and fibrosis, and to elucidate its mechanism using proteomics analysis. The FGR rat model was made by inducing mild intrauterine hypoperfusion using ameroid constrictors (ACs). On day 17 of pregnancy, ACs were affixed to the uterine and ovarian arteries bilaterally, causing a 20.9% reduction in birth weight compared to sham pups. On postnatal day 4 (P4), the pups were assigned to either the good nutrition (GN) groups with 5 pups per dam to ensure postnatal catch-up growth or poor nutrition groups with 15 pups per dam to maintain lower body weight. After weaning, all pups were fed regular chow food ad libitum (P21). Rats in both FGR groups developed glucose intolerance; however, male rats in the FGR good nutrition (FGR-GN) group also developed hypertriglyceridemia and dysmorphic pancreatic islets with fibrosis. A comprehensive and functional analysis of proteins expressed in the pancreas showed that FGR, followed by early catch-up growth, severely aggravated cell adhesion-related protein expression in male offspring. Thus, FGR and early catch-up growth caused pancreatic islet morphological abnormalities and fibrosis associated with the disturbance of cell adhesion-related protein expressions. These changes likely induce glucose intolerance and dyslipidemia in male rats.
Perceived social support in solo women seeking treatment with donor gametes and in women in heterosexual couples seeking IVF-treatment with own gametes
Authors: Lindell Pettersson Malin , Sydsjö Gunilla , Lampic Claudia , Skoog Svanberg Agneta , Elenis Evangelia
Published: February 2023

Solo motherhood is a family constellation that is becoming increasingly common in high income countries. The demographic characteristics of solo women entering treatment with donated sperm or embryo have been shown to be different from that of cohabiting women. The general importance of perceived social support is frequently amplified when health and quality of life are concerned, and positively affects mental health status, experienced stress, perceived self-efficacy during the transition to parenthood and during parenthood itself. The objective of the present study was to compare demographic characteristics, social network and perceived social support among solo women and cohabiting women awaiting fertility treatment. This objective was explored with a study-specific demographic and background questionnaire as well as through questions on access to practical support and the Multidimensional Scale of Perceived Social Support (MSPSS) assessing different sources of support. This study is a part of a longitudinal prospective multicenter study of solo women who awaited donation treatment in six Swedish public and private fertility clinics and a comparison group of women who were cohabiting/married to male partner and awaited in vitro fertilization (IVF) treatment with the couple’s own gametes. A total of 670 women were invited and 463 accepted participation (69% response rate); 207 solo women (study group) and 256 cohabiting women (comparison group). The results show significant differences in age, education, and employment between the groups. Solo women were on average 3.6 years older, had a higher level of education, a higher-income profession, and were more frequently working full time. Solo women perceived an equally high degree of social support from their families, significantly higher levels of support from friends and significantly lower support from a significant other compared to cohabiting women. Solo women expected their mother to be the most supportive person in future parenthood, while cohabiting women most often stated their cohabiting partner to fill that role. The study adds to the body of knowledge of solo women as a sociodemographic distinct group going at motherhood alone, stating a high degree of currently perceived and expected social support. The previously studied negative impact that lack of a co-parent might have, may be attenuated by the expected and perceived social support from family and friends.
Genetic monitoring on the world’s first MSC eco-labeled common octopus (O. vulgaris) fishery in western Asturias, Spain
Authors: Pirhadi N. , Parrondo M. , Romero-Bascones A. , Thoppil R. , Martínez J. L. , Fernández-Rueda M. P. , Márquez I. , García-Flórez L. , Dopico E. , Pérez T. , Borrell Y. J.
Published: February 2023

Octopus vulgaris (Cuvier, 1797) is a cephalopod species with great economic value. In western Asturias (northwest of Spain), O. vulgaris artisanal fisheries are relatively well monitored and conditionally eco-labeled by the Marine Stewardship Council (MSC). Despite this, the Asturian octopus stocks have not been genetically assessed so far. In order to improve the current fishery plan and contrast the octopus eco-label validity in Asturias, 539 individuals from five regions of the O. vulgaris geographic distribution, including temporal samplings in Asturias, were collected and genotyped at thirteen microsatellite loci. All the samples under analysis were in agreement with Hardy–Weinberg expectations. Spatial levels of genetic differentiation were estimated using F-statistics, multidimensional scaling, and Bayesian analyses. Results suggested that the O. vulgaris consists of at least four genetically different stocks coming from two ancestral lineages. In addition, temporal analyses showed stability in terms of genetic variation and high NE (> 50) for several generations in different localities within Asturias, pointing out to indeed sustainable fishery exploitation levels. Even though, the current Asturias fishery plan shows no significant genetic damages to the stocks, the regional-specific management plans need systematic genetic monitoring schemes as part of an efficient and preventive regional fishery regulation strategy.
Relationship between manual dexterity and left–right asymmetry of anatomical and functional properties of corticofugal tracts revealed by T2-weighted brain images
Authors: Oka Noriyuki , Sakoh Masaharu , Hirayama Misato , Niiyama Mayu , Gjedde Albert
Published: February 2023

The corticofugal tracts (CFT) are key agents of upper limb motor function. Although the tracts form high-intensity regions relative to surrounding tissue in T2-weighted magnetic resonance images (T2WI), the precise relations of signal intensities of the left and right CFT regions to hand function are unknown. Here, we tested the hypothesis that the different signal intensities between the left and right CFT signify clinically important differences of hand motor function. Eleven right-handed and eleven left-handed healthy volunteers participated in the study. Based on horizontal T2WI estimates, we confirmed the relationship between the signal intensity ratios of the peak values of each CFT in the posterior limbs of the internal capsules (right CFT vs. left CFT). The ratios included the asymmetry indices of the hand motor functions, including grip and pinch strength, as well as the target test (TT) that expressed the speed and accuracy of hitting a target ([right-hand score − left-hand score]/[right-hand score + left-hand score]), using simple linear regression. The signal intensity ratios of each CFT structure maintained significant linear relations with the asymmetry index of the speed (R2 = 0.493, P = 0.0003) and accuracy (R2 = 0.348, P = 0.004) of the TT. We found no significant association between left and right CFT structures for grip or pinch strengths. The findings are consistent with the hypothesis that the different signal intensities of the left and right CFT images captured by T2WI serve as biological markers that reflect the dominance of manual dexterity.
Towards environmental detection, quantification, and molecular characterization of Anopheles stephensi and Aedes aegypti from experimental larval breeding sites
Authors: Kristan Mojca , Acford-Palmer Holly , Campos Monica Oliveira , Collins Emma L. , Phelan Jody , Portwood Natalie M. , Pelloquin Bethanie , Clarke Sian , Lines Jo , Clark Taane G. , Walker Thomas , Campino Susana , Messenger Louisa A.
Published: February 2023

The invasion and establishment of An. stephensi mosquitoes in the Horn of Africa represents a significant regional threat, which may jeopardise malaria control, particularly in urban areas which were formally free from disease transmission. Novel vector surveillance methods are urgently needed, both agnostic to mosquito larval morphology, and simple to implement at the sampling stage. Using new multiplex TaqMan assays, specifically targeting An. stephensi and Ae. aegypti, we validated the use of environmental DNA (eDNA) for simultaneous vector detection in shared artificial breeding sites. Study findings demonstrated that An. stephensi and Ae. aegypti eDNA deposited by as few as one second instar larva in 1L of water was detectable. Characterization of molecular insecticide resistance mechanisms, using novel amplicon-sequencing panels for both vector species, was possible from eDNA shed by as few as 16–32 s instar larvae in 50 ml of water. An. stephensi eDNA, derived from emergent pupae for 24 h, was remarkably stable, and still detectable ~ 2 weeks later. eDNA surveillance has the potential to be implemented in local endemic communities and at points of country entry, to monitor the spread of invasive vector species. Further studies are required to validate the feasibility of this technique under field conditions.
Chalcogenocarbonyl and Chalcogenonitrosyl Metal Complexes
Authors: Mutoh Yuichiro
Published: February 2023

Compared to the well-known chemistry of carbonyl (CO) and thiocarbonyl (CS) as well as nitrosyl (NO) complexes of transition-metals, the chemistry of their heavier chalcogen isologues, i.e., selenocarbonyl (CSe) and tellurocarbonyl (CTe) as well as thionitrosyl (NS) and selenonitrosyl (NSe) complexes, still remain in the early stages of development. The limited availability of these heavier carbonyl and nitrosyl compounds has hampered our understanding of a series of chalcogenocarbonyl (CE; E = O, S, Se, Te) and chalcogenonitrosyl (NE; E = O, S, Se, Te) ligands. In this chapter, a comparative analysis of the chemistry of transition-metal complexes that contains a CE and an NE ligand is described with particular attention to synthetic methods and structural aspects.
Chalcogenones and Pincer Ligands: Coordination Chemistry and Interaction with Transition and Heavy Main Group Elements
Authors: Pop Alexandra , Silvestru Anca , Silvestru Cristian
Published: February 2023

This chapter highlights recent insights of pincer chemistry, regarding pincer chalcogenones and their metal complexes. Due to the diversity of the proligands and the quite large number of pincer–metal complexes, only compounds with heavier chalcogens (S, Se) in the pincer ligand are considered. Classical, symmetric proligands which can afford anionic pincer ligands or can behave as neutral pincer ligands resulting in metal complexes with fused 5- or 6-membered metallacycles are discussed, emphasizing general and specific methods of synthesis as well as their structural characteristics and reactivity. The ligands considered in this chapter are those based on a phenylene/heterophenylene (substituted pyridine or phosphinine) unit or a 5-membered cyclic fragment (e.g., indenyl, pyrrole, and related rings) as the central core, substituted with two side arms containing EZ groups. A particular designation of such ligands is used to show not only the donor atoms, but also the atoms to which the donors are bound and the size of the fused metallacycles formed by complexation, e.g., [(EZ)/X/(ZE]-5,5 (E = S, Se; Z = C, P; X = C, N). Applications of selected metal complexes in catalysis, biology, and materials science are briefly mentioned.
Chalcogen-containing and Chalcogen-functionalized Heterocycles
Authors: Penteado Filipe , Alberto Eduardo. E.
Published: February 2023

Heterocycles containing chalcogens as heteroatoms or embedded in several different functional groups founded interesting applications in medicinal chemistry, coordination chemistry, and materials. Recent development on their preparation is reported here.
Chalcogen–Nitrogen Heterocyclic Radicals
Authors: Zibarev Andrey V.
Published: February 2023

Recent progress in organic spin science associated with neutral 1,2,3- and 1,3,2-benzodichalcogenazolyls (Herz and Wolmershäuser radicals, respectively), and anionic 2,1,3-benzochalcogenadiazolidyls and 1,2,3-benzodichalcogenazolidyls, involved in the design and synthesis of molecular conductive and magnetic materials, including spin-crossover materials, is discussed. Where reasonable, the monocyclic analogues and other relevant ring systems are covered. Typically, S incarnations are better studied than Se and, especially, Te ones. Meanwhile, the latter are of enhanced interest due to stronger spin–orbit coupling, higher polarizability, and a larger propensity to secondary soft–soft bonding interactions. Their synthesis and characterization are challenging for further research.
Chalcogen-containing Protein and Nucleic Acid Derivatives – Synthesis and Applications
Authors: Iwaoka Michio
Published: February 2023

Chalcogen analogues, which are synthetic derivatives of natural proteins or nucleic acids with a substitution of sulfur (S), selenium (Se), or tellurium (Te) at any specific positions, show unique biological activities different from the original biomolecules, thus stimulating interest of researchers and anticipating various applications. In this chapter, after briefly providing an overview of chalcogen-containing natural proteins and nucleic acids, recent advances in the chemical synthesis as well as the assessments of unique biological properties of chalcogen analogues are summarized, giving some notable examples.
Small Organoselenium Catalysts as a Potential Manipulator for Redox Homeostasis and Proteostasis
Authors: Arai Kenta
Published: February 2023

Oxidative stress in the endoplasmic reticulum (ER) triggers the dysfunction of redox enzymes involved in protein quality control and ultimately misfolding diseases. In this chapter, we focus on small organoselenium catalysts of less than 1000 Da, which have been recently reported as antioxidant catalysts and protein folding regulators, and discuss their potential pharmacological applications in ER proteostasis.
An efficient electrochemical biosensor for the detection of heavy metal lead in food based on magnetic separation strategy and Y-DNA structure
Authors: Suo Zhiguang , Qi Xinru , Dong Jie , Wei Min , He Baoshan , Jin Huali , Guo Rui , Ren Wenjie , Xu Yiwei
Published: February 2023

An electrochemical biosensor for the detection of Pb2+ was successfully constructed by making full use of the solid loading of magnetic beads as well as the magnetic separation capability. The sensor has good selectivity and high accuracy.
The diversified hydrogels for biomedical applications and their imperative roles in tissue regeneration
Authors: Wang Xinhui , Ma Yuan , Lu Feng , Chang Qiang
Published: February 2023

Repair and regeneration of tissues after injury are complex pathophysiological processes.
Cationic ring-opening polymerization of N-benzylaziridines to polyamines via organic boron
Authors: Gu Ge-Ge , Yue Tian-Jun , Ren Wei-min
Published: February 2023

This communication reports the synthesis of cyclic polyamines via the cationic ring-opening polymerization (CROP) of N-benzylaziridines initiated by tris(pentafluorophenyl)borane.
Enantioselective dearomatization reactions of heteroarenes by anion-binding organocatalysis
Authors: Aleksiev Martin , García Mancheño Olga
Published: February 2023

This feature article outlines the up-to-date implementation of anion-binding catalysis for the enantioselective dearomatization of hereoarenes, expanding the chemical space by converting available flat building blocks into valuable chiral molecules.
Structural water in amorphous carbonate minerals: ab initio molecular dynamics simulations of X-ray pair distribution experiments
Authors: Prange Micah P. , Mergelsberg Sebastian T. , Kerisit Sebastien N.
Published: February 2023

Ab initio molecular dynamics simulation reveals the short-range structure of amorphous magnesium, calcium, and strontium carbonates as a function of water content.
Double local electromagnetic fields collaboratively enhanced triplet–triplet annihilation upconversion for efficient photocatalysis
Authors: Fang Jiaojiao , Zhu Chengyang , Ni Yaru , Lu Chunhua , Xu Zhongzi
Published: February 2023

The synergistic interplay of double local electromagnetic fields based on the PBG and LSPR effects is firstly introduced to improve TTA-UC, ultimately enhancing the photocatalytic properties.
Pyrroloquinoline quinone disodium salt improves brain function in both younger and older adults
Authors: Tamakoshi Masanori , Suzuki Tomomi , Nishihara Eiichiro , Nakamura Shinichiro , Ikemoto Kazuto
Published: February 2023

PQQ intake shows effects on cognitive tests at 8 weeks in young people and 12 weeks in old people.
Sustainable lignin modifications and processing methods: green chemistry as the way forward
Authors: Jacobs Bram , Yao Yawen , Van Nieuwenhove Ine , Sharma Dhanjay , Graulus Geert-Jan , Bernaerts Katrien , Verberckmoes An
Published: February 2023

This review aims to assess the sustainability and greenness of the modification and processing of lignin feedstock using an adaptation of the CHEM21 Metrics Toolkit and includes a guide for green solvents and designing ionic liquids.
Lab on a chip for a low-carbon future
Authors: Datta Sujit S. , Battiato Ilenia , Fernø Martin A. , Juanes Ruben , Parsa Shima , Prigiobbe Valentina , Santanach-Carreras Enric , Song Wen , Biswal Sibani Lisa , Sinton David
Published: February 2023

We describe how lab-on-a-chip systems can help address challenges in: (I) carbon sequestration, (II) hydrogen storage, (III) geothermal energy extraction, (IV) bioenergy, (V) recovering critical materials, and (VI) water filtration and remediation.
A hiPSC-derived lineage-specific vascular smooth muscle cell-on-a-chip identifies aortic heterogeneity across segments
Authors: Liu Gang , Li Jun , Ming Yang , Xiang Bitao , Zhou Xiaonan , Chen Yabin , Chen Nan , Abudupataer Mieradilijiang , Zhu Shichao , Sun Xiaoning , Sun Yongxin , Lai Hao , Feng Sisi , Wang Chunsheng , Zhu Kai
Published: February 2023

This study firstly developed a hiPSC-derived lineage-specific SMC-on-a-chip model and identified the segmental aortic heterogeneity. The model can be used for disease modelling, drug testing and personalised treatment.
A photonic artificial synapse with a reversible multifaceted photochromic compound
Authors: Sharma Deeksha , Rao Dheemahi , Saha Bivas
Published: February 2023

Sharma et al. show an all-optical artificial synapse using a reversible, photochromic organic compound, spiropyran, stimulated by optical pulses. This work shows that spiropyran can be an excellent host for artificial photonic synapses.
A diatomite-derived N-doped carbon aerogel with 98% sulfur loading for the enhancement of Li–S battery performance
Authors: Jiang Zhiyi , Zhang Shilin , Dong Xiongbo , Xu Zonglin , Sarwar Muhammad Tariq , Yan Chenyu , Yang Caihong , Tang Aidong , Yang Huming
Published: February 2023

The ultralight carbon material with diatomite as template can drive 98 wt% sulfur material with only 2 wt%, and it still has high performance when used as the cathode material for lithium sulfur batteries.
Europium doped-double sodium bismuth molybdate nanoparticles as contrast agents for luminescence bioimaging and X-ray computed tomography
Authors: Calderón-Olvera Roxana M. , Núñez Nuria O. , González-Mancebo Daniel , Monje-Moreno Jose M. , Muñoz-Rui Manuel J. , Gómez-González Elisabet , Arroyo Encarnación , Torres-Herrero Beatriz , de la Fuente Jesús M. , Ocaña Manuel
Published: February 2023

We have synthesized Eu-doped NaBi(MoO4)2 nanoparticles functionalized with PAA whose properties make them excellent multimodal contrast agents for X-ray computed tomography and luminescent bioimaging, as illustrated using a C. Elegans animal model.
Electrochemical conversion of CO2into HCOO−in a synergistic manner by a nanocomposite of Zn2SnO4/ZnO
Authors: Zhang Yingzheng , Li Zijian , Jang Haeseong , Wei Xiaoqian , Qin Qing , Liu Xien
Published: February 2023

A Zn2SnO4/ZnO nanocomposite is developed for effectively catalyzing the reduction of CO2 to formic acid, owning to the potential capacity to regulate electronic structure by interfacial interaction.
Sensitized organic light-emitting diodes: towards high efficiency and long lifetimes
Authors: Zuo Peng , Qu Yang-Kun , Zheng Qi , Liao Liang-Sheng , Jiang Zuo-Quan
Published: February 2023

This review summarizes the mechanisms and development of sensitized OLEDs, with phosphorescent, TADF, and exciplex materials as sensitizers.
Synthesis of Fe-THC MOFs and functionalizing MOFs by MXenes for the selective removal of lead(ii) ions from wastewater
Authors: Ijaz Irfan , Bukhari Aysha , Gilani Ezaz , Nazir Ammara , Zain Hina
Published: February 2023

Two different materials (MXene and MOFs) were combined to create novel Fe-THC/MXene composites as adsorbents. The prepared THC/MXene composites exhibited excellent adsorption capacity against lead.
Effects of rootstocks on the flavor quality of huanglongbing-affected sweet orange juices using targeted flavoromics strategy
Authors: Liu Xin , Gmitter Frederick G. , Grosser Jude W. , Wang Yu
Published: February 2023

The relationships between flavor attributes and some specific flavor compounds in juices from HLB affected sweet orange scions grafted on different rootstocks are demonstrated using flavoromics strategy.
Carboxymethyl cellulose-based materials as an alternative source for sustainable electrochemical devices: a review
Authors: Akhlaq Maida , Mushtaq Umair , Naz Sadia , Uroos Maliha
Published: February 2023

This review describes the applications of CMC and superiority of other bio-based materials over the traditional costly and synthetic polymers in electrochemistry due to their abundance, versatility, sustainability and low cost.
Spin polarization assisted facile C–H activation by an S = 1 iron(iv)–bisimido complex: a comprehensive spectroscopic and theoretical investigation
Authors: Xiong Jin , Liu Qing , Lavina Barbara , Hu Michael Y. , Zhao Jiyong , Alp Esen E. , Deng Liang , Ye Shengfa , Guo Yisong
Published: February 2023

A spectroscopic and computational study reveals that bulky electron-withdrawing imido substituents stabilize a rare S = 1 iron(iv)–bisimido complex with a pseudo doubly degenerate ground electronic structure, accounting for its facile HAT reactivity.
Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol
Authors: Muller Cyprien , Horký Filip , Vayer Marie , Golushko Andrei , Lebœuf David , Moran Joseph
Published: February 2023

The use of epoxides as aldehyde surrogates allows isochromans to be constructed with greater scope than previously reported oxa-Pictet–Spengler reactions. The initial Meinwald rearrangement and subsequent steps are promoted by HFIP and triflic acid.
Advances in harvesting water and energy from ubiquitous atmospheric moisture
Authors: Lu Wanheng , Ong Wei Li , Ho Ghim Wei
Published: February 2023

Sorbent-assisted AWH and moisture-enabled energy generation are reviewed in parallel to reveal the correlation between these two technologies.
Potential of microalgae and cyanobacteria to improve soil health and agricultural productivity: a critical view
Authors: Ramakrishnan Balasubramanian , Maddela Naga Raju , Venkateswarlu Kadiyala , Megharaj Mallavarapu
Published: February 2023

Microalgae are a source of scientific curiosity and inspiration for their utilization as ‘inoculants’ in agriculture and the commercial production of high-value products.
Self-oxidation of cysteine to sulfinic acid in an engineered T67C myoglobin: structure and reactivity
Authors: Dai Wei , Yuan Hong , Wang Xiao-Juan , Gao Shu-Qin , Tan Xiangshi , Lin Ying-Wu
Published: February 2023

An engineered T67C myoglobin mutant undergoes self-oxidation of Cys67 to a sulfinic acid (Cys–SO2H), as confirmed by the X-ray crystal structure, which provides a useful platform to generate artificial proteins by further chemical modifications.
Quasilinear polyglycidols by triethyborane-controlled anionic polymerization of unprotected glycidol
Authors: Alagi Prakash , Gnanou Yves , Feng Xiaoshuang
Published: February 2023

In this study, quasilinear polyglycidols (PG)s with ultralow degree of branching (DB) could be synthesized through anionic polymerization of glycidol carried out in the presence of triethylborane (TEB).
Crystal structure engineering of metal halide perovskites for photocatalytic organic synthesis
Authors: Wang Chunhua , Ding Yang , Liu Biao , Weng Bo , Hofkens Johan , Roeffaers Maarten B. J.
Published: February 2023

We investigated the effect of the crystal structure in Cs3BiBr6 and Cs3Bi2Br9 on the photocatalytic performance toward selective benzyl oxidation.
A zirconium-based microporous metal–organic framework for molecular sieving CO2 separation
Authors: Shi Yanshu , Xie Yi , Alshahrani Thamraa , Chen Banglin
Published: February 2023

A zirconium-based microporous metal–organic framework Zr-FA has been realized, exhibiting a high sieving separation of CO2 from N2 and CH4 under ambient conditions.
Electrocatalytic reduction of furfural for selective preparation of 2-methylfuran over a trace Ni assisted Cu catalyst
Authors: Cui Yiming , Wang Ze , Li Songgeng
Published: February 2023

The electrocatalytic reduction (ECR) of furfural (FF) for the synthesis of 2-methylfuran (MF) with high octane number and calorific value is investigated, using a carbon-paper-supported Ni–Cu bimetallic material as a catalytic electrode.
Ligand functionalization on Zr-MOFs enables efficient visible-light-driven H2O2evolution in pure water
Authors: Qiu Jianhao , Zhang Lu , Xia Guanglu , Dai Dingliang , Tang Yong , Yao Jianfeng
Published: February 2023

Different ligand functionalized UiO-66 (UiO-66-X, X = OH, (OH)2and NH2) were prepared and then modified by ZnIn2S4lamellas to form ZnIn2S4/UiO-66-X heterostructures for visible-light-driven H2O2evolution in pure water.
Daily blueberry consumption for 12 weeks improves endothelial function in postmenopausal women with above-normal blood pressure through reductions in oxidative stress: a randomized controlled trial
Authors: Woolf Emily K. , Terwoord Janée D. , Litwin Nicole S. , Vazquez Allegra R. , Lee Sylvia Y. , Ghanem Nancy , Michell Kiri A. , Smith Brayden T. , Grabos Lauren E. , Ketelhut Nathaniel B. , Bachman Nate P. , Smith Meghan E. , Le Sayec Melanie , Rao Sangeeta , Gentile Christopher L. , Weir Tiffany L. , Rodriguez-Mateos Ana , Seals Douglas R. , Dinenno Frank A. , Johnson Sarah A.
Published: February 2023

This randomized, double-blind, placebo-controlled trial showed that blueberries improve endothelial function through reduced oxidative stress in postmenopausal women with above-normal blood pressure.
Construction of 2D C,N-co-doped ZnO/Co3O4over Ni(OH)2mesoporous ultrathin nanosheets on Ni foam as high-performance electrocatalysts for benzyl-alcohol oxidation and accelerating hydrogen evolution
Authors: Li Jin-Kun , Wang Ao , Dong Xin-Yue , Huang Sai , Meng Yan , Song Jun-Ling
Published: February 2023

The synthesis of 2D C,N-co-doped ZnO/Co3O4@Ni(OH)2/NF heterostructure mesoporous nanosheets which show high activity for benzyl alcohol oxidation (a benzoic acid yield of 99%, and a faradaic efficiency over 97%) is reported.
Mechanism of Co(iii)-catalyzed annulation of N-chlorobenzamide with styrene and origin of cyclopentadienyl ligand-controlled enantioselectivity
Authors: Gao Han , Wang Wujie , Lv Xiangying , Lu Gang , Li Yuliang
Published: February 2023

The additional substituents on BINOL-Cp ligands exert great influence on both the geometries of styrene insertion transition states and the major factors controlling enantioselectivity.
Novel same-metal three electrode system for cyclic voltammetry studies
Authors: Periasamy Vengadesh , Elumalai Prince Nishchal Narayanaswamy , Talebi Sara , Subramaniam Ramesh T. , Kasi Ramesh , Iwamoto Mitsumasa , Gnana kumar Georgepeter
Published: February 2023

Conventional three-electrode systems used in electrochemical measurement demand time-consuming and maintenance intensive procedures to enable accurate and repeatable electrochemical measurements.
Herbal molecule-mediated dual network hydrogels with adhesive and antibacterial properties for strain and pressure sensing
Authors: Sun Hao , Dong Zhibin , Kou Xinyue , Zhao Qiaoqiao , Shi Lei , Ma Yuning , Ma Yuxia
Published: February 2023

A multifunctional herbal molecule-based dual network hydrogel was constructed via a one-pot two-step process and employed as a dual-modal sensor.
Structural snapshots of an Al–Cu bond-mediated transformation of terminal acetylenes
Authors: Liu Han-Ying , Neale Samuel E. , Hill Michael S. , Mahon Mary F. , McMullin Claire L.
Published: February 2023

The C–Al bond of [{SiNDipp}Al–Cu(NHCiPr)] reacts sequentially with three equivalents of terminal alkyne to provide cuprous (hydrido)(alkynyl)aluminate, (E-alkenyl)(alkynyl)aluminate and bis(alkynyl)aluminate derivatives.
Correction: Bond breaking of furan–maleimide adducts via a diradical sequential mechanism under an external mechanical force
Authors: Cardosa-Gutierrez Manuel , De Bo Guillaume , Duwez Anne-Sophie , Remacle Francoise
Published: February 2023

Correction for ‘Bond breaking of furan–maleimide adducts via a diradical sequential mechanism under an external mechanical force’ by Manuel Cardosa-Gutierrez, et al., Chem. Sci., 2023, https://doi.org/10.1039/D2SC05051J.