bluuebunny/crossref_metadata_2025 huggingface dataset:
Effective vaccination strategy using SARS-CoV-2 spike cocktail against Omicron and other variants of concern
Authors: Shi Juan , Wang Gang , Zheng Jian , Verma Abhishek K. , Guan Xiaoqing , Malisheni Moffat M. , Geng Qibin , Li Fang , Perlman Stanley , Du Lanying
Published: December 2022

The SARS-CoV-2 Omicron variant harbors more than 30 mutations in its spike (S) protein. Circulating Omicron subvariants, particularly BA5 and other variants of concern (VOCs), show increased resistance to COVID-19 vaccines that target the original S protein, calling for an urgent need for effective vaccines to prevent multiple SARS-CoV-2 VOCs. Here, we evaluated the neutralizing activity and protection conferred by a BA1-S subunit vaccine when combined with or used as booster doses after, administration of wild-type S protein (WT-S). A WT-S/BA1-S cocktail, or WT-S prime and BA1-S boost, induced significantly higher neutralizing antibodies against pseudotyped Omicron BA1, BA2, BA2.12.1, and BA5 subvariants, and similar or higher neutralizing antibodies against the original SARS-CoV-2, than the WT-S protein alone. The WT-S/BA1-S cocktail also elicited higher or significantly higher neutralizing antibodies than the WT-S-prime-BA1-S boost, WT-S alone, or BA1-S alone against pseudotyped SARS-CoV-2 Alpha, Beta, Gamma, and Delta VOCs, and SARS-CoV, a closely related beta-coronavirus using the same receptor as SARS-CoV-2 for viral entry. By contrast, WT-S or BA1-S alone failed to induce potent neutralizing antibodies against all these viruses. Similar to the WT-S-prime-BA1-S boost, the WT-S/BA1-S cocktail completely protected mice against the lethal challenge of a Delta variant with negligible weight loss. Thus, we have identified an effective vaccination strategy that elicits potent, broadly, and durable neutralizing antibodies against circulating SARS-CoV-2 Omicron subvariants, other VOCs, original SARS-CoV-2, and SARS-CoV. These results will provide useful guidance for developing efficacious vaccines that inhibit current and future SARS-CoV-2 variants to control the COVID-19 pandemic.
RSV pre-fusion F protein enhances the G protein antibody and anti-infectious responses
Authors: Su Caixia , Zhong Yiwei , Zhao Gan , Hou Jiawang , Zhang Shuren , Wang Bin
Published: December 2022

Respiratory syncytial virus (RSV) infection in children is the most common viral respiratory infection and can cause severe lung damage or death. There is no licensed vaccine for preventing RSV infection. Previously we demonstrated that an RSV vaccine, BARS13, consisting of recombinant G protein from E. coli plus cyclosporine A (CsA) as an immune-modulator, can protect animals from RSV challenge without inducing vaccine-enhanced disease (VED). To maximize the efficacy of such a vaccine, we introduced RSV pre-fusion F protein (pre-F) to form a new vaccine comprised of the pre-F and G proteins with the CsA. Two intramuscular immunizations with the vaccine induced a higher level of neutralizing antibodies against RSV and protected mice from RSV challenge without incurring VED. Interestingly, the addition of the pre-F to the vaccine facilitated anti-G antibody production and protection from RSV infection mainly via induction of antibodies against the central conserved domain (CCD) of the G protein which correlated with blocking the CX3C-CX3CR1 interaction. A 15 amino acid sequence (FP4) within the F2 region of pre-F served as a CD4+ Th epitope to facilitate the anti-G antibody response. Collectively, such a combination of the FP4 peptide with the G protein and CsA provides a novel strategy for developing a safe and maximally effective recombinant G protein-containing RSV vaccine.
Multimodal chromatin profiling using nanobody-based single-cell CUT&Tag
Authors: Bartosovic Marek , Castelo-Branco Gonçalo
Published: December 2022

Probing histone modifications at a single-cell level in thousands of cells has been enabled by technologies such as single-cell CUT&Tag. Here we describe nano-CUT&Tag (nano-CT), which allows simultaneous mapping of up to three epigenomic modalities at single-cell resolution using nanobody-Tn5 fusion proteins. Multimodal nano-CT is compatible with starting materials as low as 25,000–200,000 cells and has significantly higher sensitivity and number of fragments per cell than single-cell CUT&Tag. We use nano-CT to simultaneously profile chromatin accessibility, H3K27ac, and H3K27me3 in juvenile mouse brain, allowing for discrimination of more cell types and states than unimodal single-cell CUT&Tag. We also infer chromatin velocity between assay for transposase-accessible chromatin (ATAC) and H3K27ac in the oligodendrocyte lineage and deconvolute H3K27me3 repressive states, finding two sequential waves of H3K27me3 repression at distinct gene modules during oligodendrocyte lineage progression. Given its high resolution, versatility, and multimodal features, nano-CT allows unique insights in epigenetic landscapes in complex biological systems at the single-cell level.
A study of the influence of current ramp rate on the performance of polymer electrolyte membrane fuel cell
Authors: Chandran Mathan , Palaniswamy Karthikeyan , Karthik Babu N. B. , Das Oisik
Published: December 2022

Durability and reliability are the key factors that prevent fuel cells from successful implementation in automotive sector. Dynamic load change is a common and frequent condition that the fuel cell has to undergo in automotive applications. Fuel cells are more sensitive to changes in load conditions and degrade based on load variation representing idling, rated power, and high power operating conditions. To examine the influence of dynamic load step on the fuel cell performance, two similar cells of active 25 cm2 was tested under two different load step for the same dynamic load cycle. The main difference in dynamic load cycle 2 was the ramp rate which was fixed as 0.1, 0.3, and 0.25 A/cm2/s for 0.2, 0.6, and 1.0 A/cm2 respectively. To investigate the degradative effects, polarization curves, electrochemical impedance spectroscopy, and field emission scanning electron microscopy were used. The results indicated that the degradation rate increased in both dynamic load cycles but however the impact of load change was comparatively minimal in dynamic load cycle 2. The total degradation in performance was 20.67% and 10.72% in dynamic load cycles 1 and 2 respectively. Fuel cell performance degraded in a manner that was consistent with the electrochemical impedance spectroscopy and cross-sectional analysis of field emission scanning electron microscopy. The results prove that the degradation rate is dependent on the load step and the number of load cycles. Severe catalyst degradation and delamination were observed in fuel cells operated under dynamic load cycle 1.
Dynamic changes in peripheral lymphocytes and antibody response following a third dose of SARS-CoV-2 mRNA-BNT162b2 vaccine in cancer patients
Authors: Ruggeri Enzo Maria , Nelli Fabrizio , Giannarelli Diana , Fabbri Agnese , Giron Berrios Julio Rodrigo , Virtuoso Antonella , Marrucci Eleonora , Mazzotta Marco , Schirripa Marta , Signorelli Carlo , Chilelli Mario Giovanni , Primi Francesca , Fiore Cristina , Panichi Valentina , Topini Giuseppe , Silvestri Maria Assunta
Published: December 2022

The aim of this study was to evaluate the association of circulating lymphocytes profiling with antibody response in cancer patients receiving the third dose of COVID-19 mRNA-BNT162b2 vaccine. Immunophenotyping of peripheral blood was used to determine absolute counts of lymphocyte subsets, alongside detection of IgG antibodies against receptor-binding-domain (RBD) of the SARS-CoV-2 Spike protein (S1) before booster dosing (timepoint-1) and four weeks afterward (timepoint-2). An IgG titer ≥ 50 AU/mL defined a positive seroconversion response. An IgG titer ≥ 4446 AU/mL was assumed as a correlate of 50% vaccine efficacy against symptomatic infections. A total of 258 patients on active treatment within the previous six months were enrolled between September 23 and October 7, 2021. The third dose resulted in an exponential increase in median anti-RBD-S1 IgG titer (P < 0.001), seroconversion rates (P < 0.001), and 50% vaccine efficacy rates (P < 0.001). According to ROC curve analysis, T helper and B cells were significantly associated with seroconversion responses at timepoint-1, whereas only B cells were relevant to 50% vaccine efficacy rates at timepoint-2. A positive linear correlation was shown between anti-RBD-S1 IgG titers and these lymphocyte subset counts. Multivariate analysis ruled out a potential role of T helper cells but confirmed a significant interaction between higher B cell levels and improved antibody response. These findings suggest that peripheral counts of B cells correlate with humoral response to the third dose of mRNA-BNT162b2 vaccine in actively treated cancer patients and could provide insights into a more comprehensive assessment of vaccination efficacy.
The behaviour of metals in deep fluids of NE Iceland
Authors: Saby Marion , van Hinsberg Vincent , Pinti Daniele L. , Berlo Kim , Gautason Bjarni , Sigurðardóttir Ásgerður , Brown Kevin , Rocher Océane
Published: December 2022

In this contribution, we present some of the first data on the elemental signature of deep crustal fluids in a basalt-hosted, low-chloride magmatic-hydrothermal system. Down-hole fluid samples (850–1600 m) from wells in the Theistareykir and Krafla geothermal fields in the Northern Volcanic Zone of Iceland were combined with well-head samples of condensed vapor, cuttings of altered rock, and fresh basalt (being some of the first concentration data for volatile and semi-volatile elements (Sb, Tl, Bi, Cd and As) for this area of Iceland). Results show that the deep fluids are relatively enriched in base metals and (semi)-volatile metals (in particular Te, Hg, Re and Tl) compared to local basalt. We interpret this enrichment in volatile metals to reflect a significant element input from magma degassing. Boiling of this deep fluid results in a well-head fluid composition that is significantly depleted in most elements. This well-head fluid has a distinct elemental signature, including a depletion in Sb that is mirrored in the altered rocks, and a depletion in the base metals that shows their selective sequestration in scale minerals, likely sulphides. As expected, the element content and patterns in surface fluids can thus not be interpreted to directly reflect that of the deep reservoir fluid. The behaviour of elements in Theistareykir and Krafla fluids is consistent, and largely agrees with similar data obtained for the Reykjanes geothermal system in SW Iceland. We therefore posit that our results are representative for this geological setting and indicate a significant magmatic degassing cation input to deep fluids, variably modified by water–rock interaction.
Massive production of fibroin nano-fibrous biomaterial by turbulent co-flow
Authors: Gañán-Calvo Alfonso M. , Blanco-Trejo Sergio , Ruiz-López Miguel , Guinea Gustavo V. , Modesto-López Luis B. , Pérez-Rigueiro José
Published: December 2022

Among the different polymers (proteins, polysaccharides, etc.) that make up natural fibers, fibroin is a protein produced by silk spinning animals, which have developed an optimized system for the conversion of a highly concentrated solution of this protein into high-performance solid fibers. This protein undergoes a self-assembly process in the silk glands that result from chemical gradients and by the application of mechanical stresses during the last step of the process. In the quest for a process that could mimic natural spinning at massive scales, we have discovered that turbulence offers a novel and promising solution: a turbulent liquid jet can be formed by a chemically green and simple coagulating liquid (a diluted solution of acetic acid in etanol) co-flowing with a concentrated solution of fibroin in water by the use of a Flow Blurring nebulizer. In this system, (a) the co-flowing coagulant liquid extracts water from the original protein solution and, simultaneously, (b) the self-assembled proteins are subjected to mechanical actions, including splitting and stretching. Given the non-negligible produced content with the size and appearance of natural silk, the stochastic distribution of those effects in our process should contain the range of natural ones found in animals. The resulting easily functionalizable and tunable one-step material is 100% biocompatible, and our method a perfect candidate to large-scale, low-cost, green and sustainable processing of fibroin for fibres and textiles.
Comparability of automated drusen volume measurements in age-related macular degeneration: a MACUSTAR study report
Authors: Garzone Davide , Terheyden Jan Henrik , Morelle Olivier , Wintergerst Maximilian W. M. , Saßmannshausen Marlene , Schmitz-Valckenberg Steffen , Pfau Maximilian , Thiele Sarah , Poor Stephen , Leal Sergio , Holz Frank G. , Finger Robert P. ,   MACUSTAR Consortium, Agostini H. , Altay L. , Atia R. , Bandello F. , Basile P. G. , Behning C. , Belmouhand M. , Berger M. , Binns A. , Boon C. J. F. , Böttger M. , Bouchet C. , Brazier J. E. , Butt T. , Carapezzi C. , Carlton J. , Carneiro A. , Charil A. , Coimbra R. , Cozzi M. , Crabb D. P. , Cunha-Vaz J. , Dahlke C. , de Sisternes L. , Dunbar H. , Fletcher E. , Francisco C. , Gutfleisch M. , Hogg R. , Hoyng C. B. , Kilani A. , Krätzschmar J. , Kühlewein L. , Larsen M. , Lechanteur Y. T. E. , Luhmann U. F. O. , Lüning A. , Marques I. , Martinho C. , Montesano G. , Mulyukov Z. , Paques M. , Parodi B. , Parravano M. , Penas S. , Peters T. , Peto T. , Priglinger S. , Rowen D. , Rubin G. S. , Sahel J. , Sánchez C. , Sander O. , Schmid M. , Schrinner-Fenske H. , Siedlecki J. , Silva R. , Skelly A. , Souied E. , Staurenghi G. , Stöhr L. , Taylor D. J. , Tufail A. , Varano M. , Vieweg L. , Wintergerst L. , Wolf A. , Zakaria N.
Published: December 2022

Drusen are hallmarks of early and intermediate age-related macular degeneration (AMD) but their quantification remains a challenge. We compared automated drusen volume measurements between different OCT devices. We included 380 eyes from 200 individuals with bilateral intermediate (iAMD, n = 126), early (eAMD, n = 25) or no AMD (n = 49) from the MACUSTAR study. We assessed OCT scans from Cirrus (200 × 200 macular cube, 6 × 6 mm; Zeiss Meditec, CA) and Spectralis (20° × 20°, 25 B-scans; 30° × 25°, 241 B-scans; Heidelberg Engineering, Germany) devices. Sensitivity and specificity for drusen detection and differences between modalities were assessed with intra-class correlation coefficients (ICCs) and mean difference in a 5 mm diameter fovea-centered circle. Specificity was > 90% in the three modalities. In eAMD, we observed highest sensitivity in the denser Spectralis scan (68.1). The two different Spectralis modalities showed a significantly higher agreement in quantifying drusen volume in iAMD (ICC 0.993 [0.991–0.994]) than the dense Spectralis with Cirrus scan (ICC 0.807 [0.757–0.847]). Formulae for drusen volume conversion in iAMD between the two devices are provided. Automated drusen volume measures are not interchangeable between devices and softwares and need to be interpreted with the used imaging devices and software in mind. Accounting for systematic difference between methods increases comparability and conversion formulae are provided. Less dense scans did not affect drusen volume measurements in iAMD but decreased sensitivity for medium drusen in eAMD.

Trial registration: ClinicalTrials.gov NCT03349801. Registered on 22 November 2017.
Prebiopsy bpMRI and hematological parameter-based risk scoring model for predicting outcomes in biopsy-naive men with PSA 4–20 ng/mL
Authors: Zheng Yuxin , Li Wang , Zhang Yang , Zhang Chi , Wang Junqi , Ge Peng
Published: December 2022

Excessive prostate biopsy is a common problem for clinicians. Although some hematological and bi-parametric magnetic resonance imaging (bpMRI) parameters might help increase the rate of positive prostate biopsies, there is a lack of studies on whether their combination can further improve clinical detection efficiency. We retrospectively enrolled 394 patients with PSA levels of 4–20 ng/mL who underwent prebiopsy bpMRI during 2010–2021. Based on bpMRI and hematological indicators, six models and a nomogram were constructed to predict the outcomes of biopsy. Furthermore, we constructed and evaluated a risk scoring model based on the nomogram. Age, prostate-specific antigen (PSA) density (PSAD), systemic immune-inflammation index, cystatin C level, and the Prostate Imaging Reporting and Data System (PI-RADS) v2.1 score were significant predictors of prostate cancer (PCa) on multivariable logistic regression analyses (P < 0.05) and the five parameters were used to construct the XYFY nomogram. The area under the receiver operating characteristic (ROC) curve (AUC) of the nomogram was 0.916. Based on the nomogram, a risk scoring model (XYFY risk model) was constructed and then we divided the patients into low-(XYFY score: < 95), medium-(XYFY score: 95–150), and, high-risk (XYFY score: > 150) groups. The predictive values for diagnosis of PCa and clinically-significant PCa among the three risk groups were 3.0%(6/201), 41.8%(51/122), 91.5%(65/71); 0.5%(1/201), 19.7%(24/122), 60.6%(43/71), respectively. In conclusion, in this study, we used hematological and bpMRI parameters to establish and internally validate a XYFY risk scoring model for predicting the biopsy outcomes for patients with PSA levels of 4–20 ng/mL and this risk model would support clinical decision-making and reduce excessive biopsies.
ANIMAL-SPOT enables animal-independent signal detection and classification using deep learning
Authors: Bergler Christian , Smeele Simeon Q. , Tyndel Stephen A. , Barnhill Alexander , Ortiz Sara T. , Kalan Ammie K. , Cheng Rachael Xi , Brinkløv Signe , Osiecka Anna N. , Tougaard Jakob , Jakobsen Freja , Wahlberg Magnus , Nöth Elmar , Maier Andreas , Klump Barbara C.
Published: December 2022

Bioacoustic research spans a wide range of biological questions and applications, relying on identification of target species or smaller acoustic units, such as distinct call types. However, manually identifying the signal of interest is time-intensive, error-prone, and becomes unfeasible with large data volumes. Therefore, machine-driven algorithms are increasingly applied to various bioacoustic signal identification challenges. Nevertheless, biologists still have major difficulties trying to transfer existing animal- and/or scenario-related machine learning approaches to their specific animal datasets and scientific questions. This study presents an animal-independent, open-source deep learning framework, along with a detailed user guide. Three signal identification tasks, commonly encountered in bioacoustics research, were investigated: (1) target signal vs. background noise detection, (2) species classification, and (3) call type categorization. ANIMAL-SPOT successfully segmented human-annotated target signals in data volumes representing 10 distinct animal species and 1 additional genus, resulting in a mean test accuracy of 97.9%, together with an average area under the ROC curve (AUC) of 95.9%, when predicting on unseen recordings. Moreover, an average segmentation accuracy and F1-score of 95.4% was achieved on the publicly available BirdVox-Full-Night data corpus. In addition, multi-class species and call type classification resulted in 96.6% and 92.7% accuracy on unseen test data, as well as 95.2% and 88.4% regarding previous animal-specific machine-based detection excerpts. Furthermore, an Unweighted Average Recall (UAR) of 89.3% outperformed the multi-species classification baseline system of the ComParE 2021 Primate Sub-Challenge. Besides animal independence, ANIMAL-SPOT does not rely on expert knowledge or special computing resources, thereby making deep-learning-based bioacoustic signal identification accessible to a broad audience.
Environmentally driven phenotypic convergence and niche conservatism accompany speciation in hoary bats
Authors: Soto-Centeno J. Angel , Simmons Nancy B.
Published: December 2022

Species that are geographically widespread may exist across environmentally heterogeneous landscapes that could influence patterns of occupation and phylogeographic structure. Previous studies have suggested that geographic range size should be positively correlated with niche breadth, allowing widespread species to sustain viable populations over diverse environmental gradients. We examined the congruence of phenotypic and phylogenetic divergence with the environmental factors that help maintain species level diversity in the geographically widespread hoary bats (Lasiurus cinereussensu lato) across their distribution. Genetic sequences were analyzed using multiple phylogenetic and species delimitation methods, and phenotypic data were analyzed using supervised and unsupervised machine learning approaches. Spatial data from environmental, geographic, and topographic features were analyzed in a multiple regression analysis to determine their relative effect on phenotypic diversity. Ecological niches of each hoary bat species were examined in environmental space to quantify niche overlap, equivalency, and the magnitude of niche differentiation. Phylogenetic and species delimitation analyses support existence of three geographically structured species of hoary bat, each of which is phenotypically distinct. However, the Hawaiian hoary bat is morphologically more similar to the South American species than to the North American species despite a closer phylogenetic relationship to the latter. Multiple regression and niche analyses revealed higher environmental similarities between the South American and Hawaiian species. Hoary bats thus exhibit a pattern of phenotypic variation that disagrees with well-supported genetic divergences, instead indicating phenotypic convergence driven by similar environmental features and relatively conserved niches occupied in tropical latitudes.
Human reliability assessment of intelligent coal mine hoist system based on Bayesian network
Authors: Sun Linhui , Wang Liao , Su Chang , Cheng Fangming , Wang Xinping , Jia Yuanrui , Zhang Ziming
Published: December 2022

The human reliability of intelligent coal mine hoist operation system is affected by many factors, in order to reduce the occurrence of human error in the hoist system and improve the reliability of the system. The characteristics of phased-mission task operation of hoists is combined, the phase dependence of human cognitive errors is considered and, a new human reliability evaluation method is proposed with the help of Bayesian network (BN) model in this paper. Firstly, the phase dependence of human cognitive errors was analyzed based on the cognitive behavior model. Then the human error analysis in the hoist system was carried out, and several main performance shaping factors are selected. Secondly, BN was used to build the human reliability model of the hoist system at each stage. Finally, it is found that the phase dependence of cognitive errors has a negative impact on the human reliability of the hoist system through the case analysis. At the same time, several main performance shaping factors (PSFs)were quantitatively analyzed by using the reverse reasoning ability of BN, which proves the effectiveness of the proposed method, and provides a scientific and reasonable theoretical basis for the development of effective human error prevention measures for the operation of intelligent coal mine hoists.
Estimate earth fissure hazard based on machine learning in the Qa’ Jahran Basin, Yemen
Authors: Al-Masnay Yousef A. , Al-Areeq Nabil M. , Ullah Kashif , Al-Aizari Ali R. , Rahman Mahfuzur , Wang Changcheng , Zhang Jiquan , Liu Xingpeng
Published: December 2022

Earth fissures are potential hazards that often cause severe damage and affect infrastructure, the environment, and socio-economic development. Owing to the complexity of the causes of earth fissures, the prediction of earth fissures remains a challenging task. In this study, we assess earth fissure hazard susceptibility mapping through four advanced machine learning algorithms, namely random forest (RF), extreme gradient boosting (XGBoost), Naïve Bayes (NB), and K-nearest neighbor (KNN). Using Qa’ Jahran Basin in Yemen as a case study area, 152 fissure locations were recorded via a field survey for the creation of an earth fissure inventory and 11 earth fissure conditioning factors, comprising of topographical, hydrological, geological, and environmental factors, were obtained from various data sources. The outputs of the models were compared and analyzed using statistical indices such as the confusion matrix, overall accuracy, and area under the receiver operating characteristics (AUROC) curve. The obtained results revealed that the RF algorithm, with an overall accuracy of 95.65% and AUROC, 0.99 showed excellent performance for generating hazard maps, followed by XGBoost, with an overall accuracy of 92.39% and AUROC of 0.98, the NB model, with overall accuracy, 88.43% and AUROC, 0.96, and KNN model with general accuracy, 80.43% and AUROC, 0.88), respectively. Such findings can assist land management planners, local authorities, and decision-makers in managing the present and future earth fissures to protect society and the ecosystem and implement suitable protection measures.
Numerical and experimental study on the relationship between pull-out force and indentation depth of aviation wire crimp terminal
Authors: Li Pin , Liu Gongping , Wang Ping , Huang Guangwen , Yu Zhuonan , Xiu Hang , Tian Chunlin
Published: December 2022

To study the numerical relationship between the pull-out force and indentation depth of aviation wire crimp terminal, the crimping process between electrical contacts and stranded conductors and the tensile process of crimping assembly were simulated by the explicit dynamic finite element method. Regarding the variation trend of the tension of the crimping assembly with the tensile displacement during the tensile process and the failure mode, the numerical results and the experimental results showed a high degree of fit, and the relative error of the pull-out force was only 2.6%, which verified the reliability of the established numerical model. This model obtained the pull-out force curve of the crimp terminal that changes with the indentation depth. The authors suggest selecting the interval where the pull-out force is not less than 95% of the peak value, and the depth is less than the corresponding value at the peak value as the best value range of the indentation depth.
The biochar-based nanocomposites influence the quantity, quality and antioxidant activity of essential oil in dill seeds under salt stress
Authors: Ghassemi-Golezani Kazem , Rahimzadeh Saeedeh
Published: December 2022

The essential oil content and composition of medicinal plants may be influenced by eco-friendly products for nutrient availability under abiotic stresses. This research was conducted to determine the effects of biochar (30 g kg−1 soil) and biochar-based nanocomposites (BNCs) of iron (30 g BNC-FeO kg−1 soil), zinc (30 g BNC-ZnO kg−1 soil), and their combined form (15 + 15 g) on dill (Anethum graveolens L.) under salinity levels (non-saline, 6 and 12 dS m−1). Application of biochar, particularly BNCs increased iron and zinc content and decreased sodium accumulation in leaf tissues. The seed essential oil content increased under high salinity. Salinity changed the values of major compounds in essential oil and induced the formation of compounds such as alpha,2-dimethylstyrene, cuminyl alcohol, p-cymene, and linalool. Biochar treatments especially BNCs with a higher production of monoterpenes increased the levels of limonene, carvone, apiol, and dillapioll. All extracts showed a considerable DPPH-inhibitory effect with application of BNCs under salinity. The maximum antioxidant activity was observed under high level of salinity with application of the combined form. Therefore, the combined form of nanocomposite was the best treatment to improve the content of basic commercial monoterpenes and consequently antioxidant activity of essential oil in salt-stressed dill plants.
A novel n-type semiconducting biomaterial
Authors: Fukuhara Mikio , Yokotsuka Tomonori , Hashida Toshiyuki , Ogawa Fumio , Sakamoto Tadashi , Takeda Mitsuhiro , Arai Susumu
Published: December 2022

There has been no research conducted thus far on the semiconducting behaviour of biomaterials. In this study, we present ann-type semiconducting biomaterial composed of amorphous kenaf cellulose fibre (AKCF) paper with a voltage-controlled N-type negative resistance. The AKCF generates an alternating-current wave with a frequency of 40.6 MHz from a direct-current voltage source at its threshold voltage (electric field of 5.26 kV/m), which is accompanied by a switching effect with a four-order resistance change at 293 K. This effect is attributed to the voltage-induced occurrence of strong field domains (electric double layers) at the cathode and depletion at the anode of the AKCF device. The proposed AKCF material presents considerable potential for applications in flexible/paper electronic devices such as high frequency power sources and switching effect devices.
Gas-phase CO2 Recycling via the Reverse Water–Gas Shift Reaction: A Comprehensive Overview
Authors: Yang A. Liuqingqing , Gandara-Loe B. J. , Pastor-Pérez C. L. , Zhang D. Q. , He E. Yulian , Ramirez Reina F. Tomas
Published: December 2022

Since the Industrial Revolution in the 1860s, the level of atmospheric CO2 has been rising continuously, and this inevitably has taken our planet to an environmental limit situation. In this scenario, significant efforts have been made not only to reduce CO2 emissions at the source but also to remove CO2 via CO2 capture and reutilisation. Among the developed strategies, the utilisation of CO2 in a thermal-catalytic process to produce value-added chemicals and fuels has been attracting enormous attention over other strategies. Recently, the reverse water–gas shift reaction (RGWS) has been placed as a reviving pathway to convert CO2 into CO since this process is the key intermediate stage in CO2 hydrogenation. CO is an essential reactant in different reactions, which allows the further conversion of CO to high-value chemicals, such as methanol, methane, formic acid, olefins and liquid fuels. Thus, the RWGS is able to unlock opportunities to boost the CO2 conversion efficiency and provide a unique opportunity in large-scale industrial applications. However, the design and development of highly active and robust heterogeneous catalysts is still a fundamental requirement for this process to overcome CO2 activation and the catalytic deactivation and yield high level of CO. In this chapter, an overview of the main advances in the RWGS process and the different novel catalysts reported in the last decades are presented. The authors' aim is that this chapter will constitute a useful starting point for researchers working in this field.
Photocatalytic CO2 Reduction Reactions
Authors: Li Hongmei , Chen Kejun , Fu Junwei , Liu Min
Published: December 2022

Photocatalytic carbon dioxide (CO2) reduction, which can convert renewable solar energy into high value-added fuels, offers a promising approach to alleviate global energy and environmental problems. In this chapter, the fundamentals of the photocatalytic CO2 reduction mechanism are fully elaborated from the perspective of CO2 reduction reaction pathways and photocatalyst design. The main influencing factors of photocatalytic CO2 reduction activity and selectivity are analysed. An overview of recent advances for high-efficiency photocatalyst design is given from the aspects of light adsorption ability, photogenerated charge carrier separation and surface-active site properties. Finally, the remaining challenges and perspectives of photocatalytic CO2 reduction reactions are presented.
Hydrothermal CO2 Reduction Using Metals and Biomass Derivatives as Reductants
Authors: Martín A. , Bermejo M. D. , Pérez E. , Quintana-Gómez L. , Queiroz J. , Andérez M. , del Río J. I. , Chinchilla M.
Published: December 2022

At hydrothermal conditions (temperatures above 120 °C), carbon dioxide can be converted into valuable organic compounds such as formic acid, using metals such as Al or Zn or organic compounds such as alcohols as reductants. Compared to alternative CO2 conversion technologies, the hydrothermal reduction achieves high conversion yields of up to 60% in short reaction times of 2–3 h. In this chapter, an overview of the hydrothermal conversion of CO2 with metals or with organic reductants derived from lignocellulosic biomass is presented. First, an overview of the mechanisms and kinetics of the conversion of bicarbonate to formic acid using metal reductants is presented. Then, alternative inorganic carbon sources, corresponding to the components obtained by absorption of carbon dioxide in aqueous solutions of ammonia or amines, are tested. Next, organic reductants are considered, beginning with a screening analysis of the main compounds obtained by hydrolysis and fractionation of lignocellulosic biomass in hydrothermal media. The mechanisms of reduction of sodium bicarbonate with glucose are assessed. Finally, a continuous flow reactor for the hydrothermal reduction of CO2 with biomass derivatives is presented.
Towards predictive computational catalysis – a case study of olefin metathesis with Mo imido alkylidene N-heterocyclic carbene catalysts
Authors: Podewitz M.
Published: December 2022

Olefin metathesis has become a key reaction in the chemical industry to form carbon–carbon bonds. The success can be attributed to the development of highly efficient transition-metal catalysts that achieve this transformation under mild conditions. Thereby, computational chemistry has played a fundamental role in deciphering the steric and electronic factors that govern catalytic activity but predictive computational catalysis is still in its infancy. This chapter reviews state of the art computational protocols and illustrates challenges and recent advancements in the modelling of homogeneous transition-metal based catalysts towards predictive catalysis. Developments are discussed at the example of Mo imido alkylidene N-heterocyclic carbene complexes.
Natural-orbital representation of molecular electronic transitions
Authors: Etienne Thibaud
Published: December 2022

This paper aims at introducing the formal foundations of the application of reduced density-matrix theory and Green's function theory to the analysis of molecular electronic transitions. For this sake, their mechanics, applied to specific objects containing information related to the passage and the interference between electronic states—the difference and the transition density operators—are rigorously introduced in a self-contained way. After reducing the corresponding N-body operators (where N is the number of electrons in the system) using an operator partial-trace procedure, we derive the kernel of the reduced one-body difference and transition density operators, as well as the matrix representation of these operators in a finite-dimensional one-particle-state basis. These derivations are done in first and second quantization for the sake of completeness—the two formulations are equivalently present in the literature—and because second quantization is extensively used in a second part of the paper. Natural orbitals are introduced as appropriate bases for reducing the dimensionality of the problem and the complexity of the analysis of the transition phenomenon. Natural-orbital representation of density operators are often used as a tool to characterize the nature of molecular electronic transitions, so we suggest with this contribution to revisit their theoretical foundations in order to better understand the origin and nature of these tools.
Optically trapped SiO2@Au particle-dye hybrid-based SERS detection of Hg2+ ions
Authors: Suresh K. , Monisha K. , Bankapur Aseefhali , Chidangil Santhosh , George Sajan D.
Published: December 2022

Optically trapped plasmonic particles incorporated silica-assisted SERS detection of analytes in a liquid environment.
Development of an azo functionalized oligomeric chitosan sensor for rapid visual, spectrophotometric and spectrofluorometric detection of KMnO4 up to micromolar concentrations
Authors: Garg Madhvi , Sud Dhiraj
Published: December 2022

An azo-functionalized oligomeric chitosan sensor (β-NAC) was used as a detection probe for KMnO4via rapid visual, spectrophotometric, and spectrofluorometric detection methods.
Overlooked potential of N,N-bidentate directing-groups in Ni-catalyzed C–H functionalization of benzamides
Authors: Wu Weirong , Zhao Xufang , Chen Guang , Liu Lingjun , Li Yulin , Chen Tao , James Tony D. , Liu Yuxia
Published: December 2022

The Ni-catalyzed reactions of benzamides with bicyclic alkenes were explored using DFT calculations.
Phase stability and electronic structure of CsPbCl3 under hydrostatic stress and anion substitution
Authors: Mei Hang , Zhai Yue , Zhu Qiang-Qiang , Wu Na , Zhang Hong , Liang Pei , Wang Le
Published: December 2022

The electronic structure and optical properties of the two stable CsPbCl3 main phases (P4/mbm, Amm2) and the six most stable anion substitution structures under stress.
Atomically flat semiconductor nanoplatelets for light-emitting applications
Authors: Bai Bing , Zhang Chengxi , Dou Yongjiang , Kong Lingmei , Wang Lin , Wang Sheng , Li Jun , Zhou Yi , Liu Long , Liu Baiquan , Zhang Xiaoyu , Hadar Ido , Bekenstein Yehonadav , Wang Aixiang , Yin Zongyou , Turyanska Lyudmila , Feldmann Jochen , Yang Xuyong , Jia Guohua
Published: December 2022

Due to the 1D confinement, atomically flat semiconductor nanoplatelets possess narrow emission line width, short photoluminescence lifetime and high gain coefficient, enabling high color purity LEDs, backlight for LCDs and low threshold lasers.
An efficient and eco-compatible multicomponent synthesis of 2,4,5-trisubstituted imidazole derivatives using modified-silica-coated cobalt ferrite nanoparticles with tungstic acid
Authors: Kermanizadeh Shadan , Naeimi Hossein , Mousavi Setareh
Published: December 2022

In this research, a method for green one-pot synthesis of trisubstituted imidazoles using modified-silica coated cobalt ferrite NPs by tungstic acid as catalyst under solvent-free conditions is described.
Sodium houttuyfonate derived fromHouttuynia cordataThunb improves intestinal malfunctionviamaintaining gut microflora stability inCandida albicansovergrowth aggravated ulcerative colitis
Authors: Cheng Ting , Xu Chen , Wu Daqiang , Yan Guiming , Wang Changzhong , Wang Tianming , Shao Jing
Published: December 2022

Sodium houttuyfonate derived from the edible herbHouttuynia cordataThunb could improve oxidative stress, inflammatory response and gut microflora homeostasis inCandida albicansovergrowth aggravated ulcerative colitis.
Hierarchically ordered porous carbon with atomically dispersed cobalt for oxidative esterification of furfural
Authors: Yao Wen , Hu Chenghong , Zhang Yajie , Li Hao , Wang Fengliang , Shen Kui , Chen Liyu , Li Yingwei
Published: December 2022

Co-SA/3DOM-NC catalysts with a three-dimensional ordered macropore structure and highly dispersed CoN4sites are successfully fabricated, and show high catalytic activity and selectivity in the oxidative esterification of furfural.
Spotting the driving forces for SERS of two-dimensional nanomaterials
Authors: Jin Jing , Guo Zhinan , Fan Dianyuan , Zhao Bing
Published: December 2022

The driving forces for SERS enhancement of 2D nanomaterials, including thickness, phase, defect, anisotropy, atomic ratio and pressure, etc have been summarized here.
A self-healing polymerized-ionic-liquid-based polymer electrolyte enables a long lifespan and dendrite-free solid-state Li metal batteries at room temperature
Authors: Lin Xiujing , Xu Shiyuan , Tong Yuqi , Liu Xinshuang , Liu Zeyu , Li Pan , Liu Ruiqing , Feng Xiaomiao , Shi Li , Ma Yanwen
Published: December 2022

We introduce a self-healing polymerized-ionic-liquid-based polymer electrolyte for solid-state Li metal batteries, which can spontaneously reconstruct dendrite-induced defects at the Li/electrolyte interface, and, in turn, tailor Li deposition.
Shape selectivity of zeolite for hydroisomerization of long-chain alkanes
Authors: Han Yuanlong , Yuan Jiamin , Xing Mengjiao , Cao Jian , Chen Zhiqiang , Zhang Ling , Tao Zhichao , Liu Zhiqiang , Zheng Anmin , Wen Xiaodong , Yang Yong , Li Yongwang
Published: December 2022

The matching degree between the zeolite channel size and the isomer size determines the product distribution of dodecane hydroisomerization.
A combined experimental and theoretical study on p-sulfonatothiacalix[4]arene encapsulated sulisobenzone
Authors: Roy Niloy , Bomzan Pranish , Ghosh Biswajit , Roy Mahendra Nath
Published: December 2022

Sunscreen ingredients such as sulisobenzone (SBZ) have the tendency to degrade when exposed to UV-radiation, which becomes a major problem for their further development and application in the cosmetic industry.
A first-principles study of the adsorption mechanism of NO2 on monolayer antimonide phosphide: a highly sensitive and selective gas sensor
Authors: Liu Xiaodong , Guo Haojie , Wang Jia , Huang Qing , Chen Xianping , Bao Jiading , Yu Jiabing
Published: December 2022

A NO2/SbP adsorption system with high adsorption energy (−0.876 eV) and charge transfer value (−0.83 e) is reported.
Dielectric behaviour of plasma hydrogenated TiO2/cyanoethylated cellulose nanocomposites
Authors: Adassooriya Nadeesh M. , Ozgit Dilek , Shivareddy Sai G. , Hiralal Pritesh , Dahanayake Damayanthi , Oliver Rachel A. , Amaratunga Gehan A. J.
Published: December 2022

The interface between the polymer and nanoparticle has a vital role in determining the overall dielectric properties of a dielectric polymer nanocomposite.
Magnetic enrichment of immuno-specific extracellular vesicles for mass spectrometry using biofilm-derived iron oxide nanowires
Authors: Pham Quang Nghia , Winter Marnie , Milanova Valentina , Young Clifford , Condina Mark R. , Hoffmann Peter , Pham Nguyen T. H. , Tung Tran Thanh , Losic Dusan , Thierry Benjamin
Published: December 2022

Magnetic extracellular vesicle (EV) enrichment using antibody conjugated bacteria-derived iron oxide nanowires coupled with mass spectrometry-based proteome profiling enables efficient EV subtype enrichment and reproducible proteomics.
Simple and robust phenoxazine phosphonic acid molecules as self-assembled hole selective contacts for high-performance inverted perovskite solar cells
Authors: Li Zhaoning , Tan Qin , Chen Guocong , Gao Han , Wang Jiafeng , Zhang Xusheng , Xiu Jingwei , Chen Wei , He Zhubing
Published: December 2022

A new self-assembled hole selective material 2BrPXZPA-based inverted perovskite solar cell achieved a PCE of 22.93%, and further enhanced the PCE up to 23.66% by modify NiOx with 2BrPXZPA.
Complementary mechanochemical and biphasic approaches for the synthesis of organic thiocyanates using hexacyanoferrates as non-toxic cyanide sources
Authors: Grundke Caroline , Groß Jonathan , Vierengel Nina , Sirleaf Jason , Schmitz Matthias , Krieger Leonie , Opatz Till
Published: December 2022

Herein, we describe two complementary approaches towards various organic thiocyanates that are affordable, reliable and follow the principles of sustainable chemistry, starting from commercially available thiols or disulfides.
Unveiling the reactivity of epoxides in carbonated epoxidized soybean oil and application in the stepwise synthesis of hybrid poly(hydroxyurethane) thermosets
Authors: Helbling P. , Hermant F. , Petit M. , Tassaing T. , Vidil T. , Cramail H.
Published: December 2022

In this work, the crosslinking reaction of partially carbonated epoxidized soybean oils with diamines was investigated through an unprecedented combination of in situ infrared and Raman spectroscopies, revealing two crosslinking regimes.
Anin situ-fabricated p-Co3O4@n-ZnO surface heterojunction photocatalyst for solar-to-fuel conversion of CO2
Authors: Wang Qiuyan , Chen Kui , Wang Shuhui , Jiang Daheng , Ma Changqiu , Zhu Lixin , Xu Xiaoliang
Published: December 2022

A p-Co3O4@n-ZnO surface heterojunction photocatalyst is constructed to expand the light absorption range and promote charge separation for efficient CO2reduction.
Exploring fluoride effects in sterically enhanced cobalt ethylene polymerisation catalysts; a combined experimental and DFT study
Authors: Li Zilong , Ma Yanping , Liu Tian , Zhang Qiuyue , Solan Gregory A. , Liang Tongling , Sun Wen-Hua
Published: December 2022

The F-substituted cobalt complexes decorated with benzhydryl groups displayed high activity in ethylene polymerization. Through DFT and experimental findings, the combination of remote fluorides and steric bulk has enhanced catalytic activity and thermal stability.
Coordinating zincophilic sites and a solvation shell for a dendrite-free Zn anode under the synergistic effects of polyacrylonitrile and dimethyl sulfoxide
Authors: Liu Zhenjie , Ma Jiale , Liu Xiangjian , Wu Haiyang , Wu Dianlun , Chen Bin , Huang Peng , Huang Yang , Wang Lei , Li Zhenyu , Chou Shulei
Published: December 2022

In order to improve the critical issues of Zn dendritic in zinc-ion batterie, we investigate herein a hybrid electrolyte with PAN-DMSO-H2O. With the synergistic effects of PAN and DMSO, a uniform, smooth and dendrite-free Zn anode could be obtained.
Wide-range color-tunable polycyclo-heteraborin multi-resonance emitters containing B–N covalent bonds
Authors: Meng Guoyun , Dai Hengyi , Zhou Jianping , Huang Tianyu , Zeng Xuan , Wang Qi , Wang Xiang , Zhang Yuewei , Fan Tianjiao , Yang Dezhi , Ma Dongge , Zhang Dongdong , Duan Lian
Published: December 2022

A new set of BN-MR emitters based on theparaB–π–B skeleton have been developed and showed impressive EQEs with low efficiency roll-offs and extended operation stability.
Correlation of phase (in)stability and lattice misfits for high-power-density Na cathodes
Authors: Yoon Sangho , Murugesan Varun Karthik , Lee Jaewoon , Kim Taehyung , Lee Chang Woo , Kim Duho
Published: December 2022

The correlation between phase (in)stability and lattice misfit is investigated to provide an in-depth understanding of the phase transitions using the “directional lattice misfit” concept in achieving high-power-density cathodes.
Phase-structure design for sodium chloride solid electrolytes with outstanding performance: a first-principles approach
Authors: Lian Yuxiang , Wu Musheng , Xu Bo , He Bing , Liu Gang , Shi Jing , Kuang Qingqiang , Wang Hewen , Ouyang Chuying
Published: December 2022

As promising solid electrolytes for all-solid-state sodium-ion battery, ternary sodium halides with c2m and p3m1 phases exhibit high ionic conductivity and good stability.
Correction: Co, Fe and N co-doped 1D assembly of hollow carbon nanoboxes for high-performance supercapacitors
Authors: Kim Minjun , Wang Chaohai , Earnshaw Jacob , Park Teahoon , Amiralian Nasim , Ashok Aditya , Na Jongbeom , Han Minsu , Rowan Alan E. , Li Jiansheng , Yi Jin Woo , Yamauchi Yusuke
Published: December 2022

Correction for ‘Co, Fe and N co-doped 1D assembly of hollow carbon nanoboxes for high-performance supercapacitors’ by Minjun Kim et al., J. Mater. Chem. A, 2022, 10, 24056–24063, https://doi.org/10.1039/D2TA06950D.
A cysteine enzyme hemostat for efficient heparin-tolerant blood coagulation
Authors: Lin Mengchi , Yu Lisha , Xiao Liping , Fan Jie
Published: December 2022

A papain-based hemostat is prepared to convert fibrinogen into fibrin and promote hemostasis in a heparinized system where thrombin loses its function, and the excellent hemostatic performance is confirmed in the heparinized system.
Tumor-targeted molybdenum disulfide@barium titanate core–shell nanomedicine for dual photothermal and chemotherapy of triple-negative breast cancer cells
Authors: Murugan Chandran , Lee Hyoryong , Park Sukho
Published: December 2022

Intracellular working mechanism of Gem-loaded MBPF CSNPs when exposed to NIR laser irradiation. MBPF passively targets and enhances ROS generation and DNA damage within MDA-MB-231 cells through their dual performance.