bluuebunny/crossref_metadata_2025 huggingface dataset:
Dissecting the immune suppressive human prostate tumor microenvironment via integrated single-cell and spatial transcriptomic analyses
Authors: Hirz Taghreed , Mei Shenglin , Sarkar Hirak , Kfoury Youmna , Wu Shulin , Verhoeven Bronte M. , Subtelny Alexander O. , Zlatev Dimitar V. , Wszolek Matthew W. , Salari Keyan , Murray Evan , Chen Fei , Macosko Evan Z. , Wu Chin-Lee , Scadden David T. , Dahl Douglas M. , Baryawno Ninib , Saylor Philip J. , Kharchenko Peter V. , Sykes David B.
Published: February 2023

The treatment of low-risk primary prostate cancer entails active surveillance only, while high-risk disease requires multimodal treatment including surgery, radiation therapy, and hormonal therapy. Recurrence and development of metastatic disease remains a clinical problem, without a clear understanding of what drives immune escape and tumor progression. Here, we comprehensively describe the tumor microenvironment of localized prostate cancer in comparison with adjacent normal samples and healthy controls. Single-cell RNA sequencing and high-resolution spatial transcriptomic analyses reveal tumor context dependent changes in gene expression. Our data indicate that an immune suppressive tumor microenvironment associates with suppressive myeloid populations and exhausted T-cells, in addition to high stromal angiogenic activity. We infer cell-to-cell relationships from high throughput ligand-receptor interaction measurements within undissociated tissue sections. Our work thus provides a highly detailed and comprehensive resource of the prostate tumor microenvironment as well as tumor-stromal cell interactions.
Up-conversion emission in transition metal and lanthanide co-doped systems: dimer sensitization revisited
Authors: Avram Daniel , Colbea Claudiu , Patrascu Andrei A. , Istrate Marian Cosmin , Teodorescu Valentin , Tiseanu Carmen
Published: February 2023

Lanthanide (Ln) co-doped transition metal (TM) upconversion (UC) co-doped systems are being intensively investigated for their exciting applications in photonics, bioimaging, and luminescence thermometry. The presence of TM, such as Mo6 + /W6 +, Mn2 +, or Fe3 + determines significant changes in Ln UC emission, such as intensity enhancement, colour modulation, and even the alteration of the photon order. The current mechanism assumes a ground-state absorption/excited-state absorption (ESA/GSA) in TM-Yb dimer followed by direct energy transfer to Er/Tm excited states. We revisit this mechanism by addressing two issues that remain ignored: a dynamical approach to the investigation of the upconversion mechanism and the intrinsic chemical complexity of co-doped TM, Ln systems. To this aim, we employ a pulsed, excitation variable laser across a complete set of UC measurements, such as the emission and excitation spectra and emission decays and analyze multiple grains with transmission electron microscopy (TEM). In the Mo co-doped garnet, the results sustain the co-existence of Mo-free garnet and Mo oxide impurity. In this Mo oxide, the Er upconversion emission properties are fully explained by a relatively efficient sequential Yb to Er upconversion process, with no contribution from Yb-Mo dimer sensitization.
A conserved SNP variation in the pre-miR396c flanking region in Oryza sativa indica landraces correlates with mature miRNA abundance
Authors: Jaganathan Deepa , Rajakani Raja , Doddamani Dadakhalandar , Saravanan Divya , Pulipati Shalini , Hari Sundar G Vivek , Sellamuthu Gothandapani , Jayabalan Shilpha , Kumari Kumkum , Parthasarathy Pavithra , S. Punitha , Ramalingam Sivaprakash , Shivaprasad Padubidri V. , Venkataraman Gayatri
Published: February 2023

Plant precursor miRNAs (pre-miRNA) have conserved evolutionary footprints that correlate with mode of miRNA biogenesis. In plants, base to loop and loop to base modes of biogenesis have been reported. Conserved structural element(s) in pre-miRNA play a major role in turn over and abundance of mature miRNA. Pre-miR396c sequences and secondary structural characteristics across Oryza species are presented. Based on secondary structure, twelve Oryza pre-miR396c sequences are divided into three groups, with the precursor from halophytic Oryza coarctata forming a distinct group. The miRNA-miRNA* duplex region is completely conserved across eleven Oryza species as are other structural elements in the pre-miRNA, suggestive of an evolutionarily conserved base-to-loop mode of miRNA biogenesis. SNPs within O. coarctata mature miR396c sequence and miRNA* region have the potential to alter target specificity and association with the RNA-induced silencing complex. A conserved SNP variation, rs10234287911 (G/A), identified in O. sativa pre-miR396c sequences alters base pairing above the miRNA-miRNA* duplex. The more stable structure conferred by the ‘A10234287911’ allele may promote better processing vis-à-vis the structure conferred by ‘G10234287911’ allele. We also examine pri- and pre-miR396c expression in cultivated rice under heat and salinity and their correlation with miR396c expression.
Mechanisms of amyloid-β34 generation indicate a pivotal role for BACE1 in amyloid homeostasis
Authors: Ulku Irem , Liebsch Filip , Akerman S. Can , Schulz Jana F. , Kulic Luka , Hock Christoph , Pietrzik Claus , Di Spiezio Alessandro , Thinakaran Gopal , Saftig Paul , Multhaup Gerhard
Published: February 2023

The beta‑site amyloid precursor protein (APP) cleaving enzyme (BACE1) was discovered due to its “amyloidogenic” activity which contributes to the production of amyloid-beta (Aβ) peptides. However, BACE1 also possesses an “amyloidolytic” activity, whereby it degrades longer Aβ peptides into a non‑toxic Aβ34 intermediate. Here, we examine conditions that shift the equilibrium between BACE1 amyloidogenic and amyloidolytic activities by altering BACE1/APP ratios. In Alzheimer disease brain tissue, we found an association between elevated levels of BACE1 and Aβ34. In mice, the deletion of one BACE1 gene copy reduced BACE1 amyloidolytic activity by ~ 50%. In cells, a stepwise increase of BACE1 but not APP expression promoted amyloidolytic cleavage resulting in dose-dependently increased Aβ34 levels. At the cellular level, a mislocalization of surplus BACE1 caused a reduction in Aβ34 levels. To align the role of γ-secretase in this pathway, we silenced Presenilin (PS) expression and identified PS2-γ-secretase as the main γ-secretase that generates Aβ40 and Aβ42 peptides serving as substrates for BACE1’s amyloidolytic cleavage to generate Aβ34.
Dynamic response characteristics and damage rule of graphite ore rock under different strain rates
Authors: Ye Haiwang , Li Xingwang , Lei Tao , Li Lifeng , Wang Qizhou , Li Ning
Published: February 2023

In the process of mining graphite mine, rock mass is often subjected to dynamic loads such as blasting or mechanical crushing, which involves dynamic responses of different strain rates, and blasting and crushing effect are affected by the rock dynamic properties and damage specials. The dynamic response characteristics and damage rule of graphite ore rock under different strain rates are very important but rarely studied in the past. To study these issues and provide support for graphite ore rock mining, the dynamic compression tests of graphite ore rock under five kinds of impact pressures were designed and carried out by using the Split Hopkinson Pressure Bar (SHPB) test system, combining with the high-speed photography system and crushing screening tests. The dynamic characteristics, crushing process, crushing mode, crushing form and fragmentation distribution of the graphite ore rock under different strain rates were analyzed. The results show that the dynamic characteristics of the graphite ore rock have obvious strain rate effect. The hardening coefficient (DIF) is positively correlated with the cubic root of strain rate, and the softening factor (K) is negatively correlated with the cubic root of strain rate. Shear failure mainly occurs in the graphite ore rock under impact load, and the crushing process can be divided into five stages, they are compaction, crack initiation, crack expansion and penetration, fragmentation collision and fragmentation fall. In addition, the crushed blocks are mainly triangular pyramid (or cone-like) fine granular and powder. The broken fragments of the graphite ore rock are in accord with the fractal geometry characteristics. That is, the average broken particle size (dS) decreases linearly with the increase of strain rate, and the fractal dimension (Da) increases weakly with the increase of strain rate. Based on D-P fracture criterion and Weibull distribution model, the dynamic damage constitutive model of the graphite ore rock was established, and the correlation between strain rate and Weibull distribution parameters (m and F0) was used to reasonably modify the damage constitutive model. The modified damage constitutive model curve is in good agreement with the experimental curve, which can basically reflect the strain rate effect of the dynamic characteristics of the graphite ore rock and the evolution characteristics of the dynamic stress–strain curve at different stage.
Synchrotron-based operando X-ray diffraction and X-ray absorption spectroscopy study of LiCo0.5Fe0.5PO4 mixed d-metal olivine cathode
Authors: Hamdalla Taymour A. , Aboraia Abdelaziz M. , Shapovalov V. V. , Guda A. A. , Kosova N. V. , Podgornova O. A. , Darwish A. A. A. , Al-Ghamdi S. A. , Alfadhli S. , Alatawi Aadel M. , Soldatov Alexander
Published: February 2023

Lithium-ion batteries based on high-voltage cathode materials, such as LiCoPO4, despite being promising in terms of specific power, still suffer from poor cycle life due to the lower stability of common non-aqueous electrolytes at higher voltages. One way to overcome this issue might be decreasing the working potential of the battery by doping LiCoPO4 by Fe, thus reducing electrolyte degradation upon cycling. However, such modification requires a deep understanding of the structural behavior of cathode material upon lithiation/delithiation. Here we used a combination of operando synchrotron-based XRD and XAS to investigate the dynamics of d-metal local atomic structure and charge state upon cycling of LiCo0.5Fe0.5PO4 mixed d-metal olivine cathode material. Principal components analysis (PCA) of XAS data allowed the extraction of spectra of individual phases in the material and their concentrations. For both Co and Fe two components were extracted, they correspond to fully lithiated and delithiated phases of LixMPO4 (where M = Fe, Co). Thus, we were able to track the phase transitions in the material upon charge and discharge and quantitatively analyze the M2+/M3+ electrochemical conversion rate for both Fe and Co. Rietveld's refinement of XRD data allowed us to analyze the changes in the lattice of cathode material and their reversibility upon (de)lithiation during cycling. The calculation of DFT and Bader charge analysis expects the oxygen redox procedure combined with d-metals redox, which supplements iron charge variations and dominates at high voltages when x < 0.75 in LixCoFePO4.
Combating lead and cadmium exposure with an orally administered chitosan-based chelating polymer
Authors: Howard Jordyn Ann , Kuznietsova Halyna , Dziubenko Natalia , Aigle Axel , Natuzzi Marco , Thomas Eloise , Lysenko Vladimir , David Laurent , Brichart Thomas , Lux François , Tillement Olivier
Published: February 2023

Heavy metals present a threat to human health, even at minimal concentrations within the body. One source of exposure is due to the consumption of low-level contaminated foodstuff and water. Lead and cadmium have been shown to be absorbed by and accumulate within organs like the kidneys and liver, and they have also been associated to many diseases including cardiovascular disease and kidney dysfunction as well as developmental disorders and neurodegenerative diseases. Since this contamination of lead and cadmium is found worldwide, limiting the exposure is complicated and novel strategies are required to prevent the absorption and accumulation of these metals by forcing their elimination. In this study, a DOTAGA-functionalized chitosan polymer is evaluated for this preventative strategy. It shows promising results when orally administered in mice to force the elimination and negate the toxic effects of lead and cadmium found within foodstuff.
Limbic progesterone receptors regulate spatial memory
Authors: Joshi Suchitra , Williams Cedric L. , Kapur Jaideep
Published: February 2023

Progesterone and its receptors (PRs) participate in mating and reproduction, but their role in spatial declarative memory is not understood. Male mice expressed PRs, predominately in excitatory neurons, in brain regions that support spatial memory, such as the hippocampus and entorhinal cortex (EC). Furthermore, segesterone, a specific PR agonist, activates neurons in both the EC and hippocampus. We assessed the contribution of PRs in promoting spatial and non-spatial cognitive learning in male mice by examining the performance of mice lacking this receptor (PRKO), in novel object recognition, object placement, Y-maze alternation, and Morris-Water Maze (MWM) tasks. In the recognition test, the PRKO mice preferred the familiar object over the novel object. A similar preference for the familiar object was also seen following the EC-specific deletion of PRs. PRKO mice were also unable to recognize the change in object position. We confirmed deficits in spatial memory of PRKO mice by testing them on the Y-maze forced alternation and MWM tasks; PR deletion affected animal’s performance in both these tasks. In contrast to spatial tasks, PR removal did not alter the response to fear conditioning. These studies provide novel insights into the role of PRs in facilitating spatial, declarative memory in males, which may help with finding reproductive partners.
Rare variant aggregation in 148,508 exomes identifies genes associated with proxy dementia
Authors: Wightman Douglas P. , Savage Jeanne E. , de Leeuw Christiaan A. , Jansen Iris E. , Posthuma Danielle
Published: February 2023

Proxy phenotypes allow for the utilization of genetic data from large population cohorts to analyze late-onset diseases by using parental diagnoses as a proxy for genetic disease risk. Proxy phenotypes based on parental diagnosis status have been used in previous studies to identify common variants associated with Alzheimer’s disease. As of yet, proxy phenotypes have not been used to identify genes associated with Alzheimer’s disease through rare variants. Here we show that a proxy Alzheimer’s disease/dementia phenotype can capture known Alzheimer’s disease risk genes through rare variant aggregation. We generated a proxy Alzheimer’s disease/dementia phenotype for 148,508 unrelated individuals of European ancestry in the UK biobank in order to perform exome-wide rare variant aggregation analyses to identify genes associated with proxy Alzheimer’s disease/dementia. We identified four genes significantly associated with the proxy phenotype, three of which were significantly associated with proxy Alzheimer’s disease/dementia in an independent replication cohort consisting of 197,506 unrelated individuals of European ancestry in the UK biobank. All three of the replicated genes have been previously associated with clinically diagnosed Alzheimer’s disease (SORL1, TREM2, and TOMM40/APOE). We show that proxy Alzheimer’s disease/dementia can be used to identify genes associated with Alzheimer’s disease through rare variant aggregation.
Benefits of the microalgae Spirulina and Schizochytrium in fish nutrition: a meta-analysis
Authors: Trevi S. , Uren Webster T. , Consuegra S. , Garcia de Leaniz C.
Published: February 2023

Use of microalgae in fish nutrition can relieve pressure on wild fish stocks, but there is no systematic quantitative evaluation of microalgae benefits. We conducted a metanalysis on the nutritional benefits ofSpirulinaandSchizochytriumas replacements of fishmeal and fish or plant oil, respectively. We reviewed 50 peer-reviewed studies involving 26 finfish species and 144 control vs microalgae replacement comparisons. Inclusion ofSpirulinain the fish diet significantly improved growth compared to controls (SMD = 1.21; 95% CI 0.71–1.70), while inclusion ofSchizochytriummaintained the content of omega-3 PUFA of the fish fillet compared to fish fed on fish or plant oils (SMD = 0.62; 95% CI − 0.51–1.76). Benefits were apparent at replacement levels as low as 0.025% in the case ofSpirulinaand 10% in the case ofSchizochytriumoil. Dose-dependent effects were found forSpirulinareplacement on growth, but not forSchizochytriumon omega-3 fillet content. Subgroup analysis and meta-regression revealed that ~ 24–27% of variation in effect sizes can be accounted by variation between fish families, the rest likely reflecting variation in experimental conditions. Overall, the evidence indicates thatSpirulinaandSchizochytriumreplacement in aquafeeds can be used to improve fish growth and maintain fillet quality, respectively, but considerable uncertainty exists on the predicted responses. To reduce uncertainty and facilitate the transition towards more sustainable aquafeeds, we recommend that feeding trials using microalgae are conducted under commercially relevant conditions and that greater care is taken to report full results to account for sources of heterogeneity.
Evaluation of solar photovoltaic carport canopy with electric vehicle charging potential
Authors: Fakour Hoda , Imani Moslem , Lo Shang-Lien , Yuan Mei-Hua , Chen Chih-Kuei , Mobasser Shariat , Muangthai Isara
Published: February 2023

While sustainable mobility and decarbonization of transportation sector are among the most comprehensive solutions to the problem of climate change, electric vehicles (EV) are becoming increasingly popular as the future mode of transport. In this study, the integration of a solar carport canopy to a potential EV charging station is analyzed using various operating conditions. A detailed analysis has been provided for the carport located in southern Taiwan, Kaohsiung city, where electricity generation, emission impacts, and financial analysis of the solar EV charging station are discussed. The results of a case study showed a potential of 140 MWh/year of solar energy yield, which could provide solar electricity of more than 3000 vehicles per month with 1-h parking time, generating 94% lower total carbon dioxide emission than the electricity produced from traditional grid methods. Taken into account the impact of carbon tax implementation on driver economics, the results demonstrated the viability of such photovoltaic (PV)-based charging stations, particularly for possible higher carbon tax scenarios in the future. The presented results can be implemented on a larger scale, offering guidelines and tools for constructing solar-powered EV charging station infrastructure.
Ghrelin signaling in the cerebellar cortex enhances GABAergic transmission onto Purkinje cells
Authors: Hirono Moritoshi , Nakata Masanori
Published: February 2023

Ghrelin, an orexigenic peptide ligand for growth hormone secretagogue receptor 1a (GHS-R1a), occurs not only in the stomach but also in the brain, and modulates neuronal activity and synaptic efficacy. Previous studies showed that GHS-R1a exists in the cerebellum, and ghrelin facilitates spontaneous firing of Purkinje cells (PCs). However, the effects of ghrelin on cerebellar GABAergic transmission have yet to be elucidated. We found that ghrelin enhanced GABAergic transmission between molecular layer interneurons (MLIs) and PCs using electrophysiological recordings in mouse cerebellar slices. This finding was consistent with the possibility that blocking synaptic transmission enhanced the ghrelin-induced facilitation of PC firing. Ghrelin profoundly increased the frequency of spontaneous inhibitory postsynaptic currents (IPSCs) in PCs without affecting miniature or stimulation-evoked IPSCs, whereas it significantly facilitated spontaneous firing of MLIs. This facilitation of MLI spiking disappeared during treatments with blockers of GHS-R1a, type 1 transient receptor potential canonical (TRPC1) channels and KCNQ channels. These results suggest that both activating TRPC1 channels and inhibiting KCNQ channels occur downstream the ghrelin-GHS-R1a signaling pathway probably in somatodendritic sites of MLIs. Thus, ghrelin can control PC firing directly and indirectly via its modulation of GABAergic transmission, thereby impacting activity in cerebellar circuitry.
Deposition of carbon from methane on manganese sources
Authors: Dalaker Halvor , Gjøvik Jonas E. , Ringdalen Eli
Published: February 2023

Carbon has been deposited on HCFeMn slag from methane-containing gas with and without CO2, creating C-MnO composites and giving a hydrogen-rich off-gas as a by-product. The maximum deposited amount corresponds to 38 ± 6% of the carbon required for reduction of all manganese in the slag to metallic Mn. This was achieved at 1100 °C with a H2-concentration in the off gas of 76%. Temperature was an important parameter. At 790 °C, no deposited carbon was detected, at temperatures ≥ 1000 °C, deposition increased with temperature. A lower gas-flow leads to more methane decomposition. Experiments with CO2 in the process gas gave less deposited carbon than other experiments. This could be caused by dilution of methane or chemical reactions involving CO2, or a combination. Investigations of fines formation indicate that the deposited carbon sticks well to the HCFeMn-slag, and would not fall off easily during transport and handling. This demonstrates that biogas can potentially be a non-fossil source of carbon in manganese production.
Prediction of the shear capacity of ultrahigh-performance concrete beams using neural network and genetic algorithm
Authors: Hou Rui , Hou Qi
Published: February 2023

Currently, concrete structures have increasingly higher requirements for the shear capacity of beams, and ultrahigh-performance concrete (UHPC) beams are increasingly widely used. To facilitate the design of UHPC beams, this paper constructs a UHPC beam shear strength prediction model. First, static shear tests were conducted on 6 UHPC beam specimens with a length of 2 m and a cross-sectional size of 200 mm × 300 mm to explore the effects of the UHPC strength, shear span ratio, hoop ratio, and steel fiber content on the shear resistance and failure morphology of the UHPC beams. Based on the results of this study and a static load experiment of 102 UHPC beams in the literature, the construction includes the shear span ratio (λ), beam section width (b), beam section height (h), hoop ratio (ρSV), UHPC compressive strength (fc), steel fiber volume fraction (Vf), and the UHPC beam shear capacity (Vex) 7 parameter database. Based on the construction of the database, 1200 BPNN models were trained through trial and error. The models were evaluated using the correlation coefficient R, root mean square error RMSE, and a20-index indicators, and the optimal BPNN model (6-15-8-1) was determined based on the ranking of RMSE. After the optimal BPNN is optimized by a genetic algorithm, the prediction performance of the model is improved. The correlation coefficient between the predicted value and the experimental value is R2 = 0.98667, and RMSE = 7.38. This model can reliably predict the shear strength of UHPC beams and provide designers with a reference for the design of UHPC beams. Finally, after sensitivity analysis, the influence of each input parameter on the UHPC shear capacity is determined.
Population genetic analysis of Plasmodium knowlesi reveals differential selection and exchange events between Borneo and Peninsular sub-populations
Authors: Turkiewicz Anna , Manko Emilia , Oresegun Damiola R. , Nolder Debbie , Spadar Anton , Sutherland Colin J. , Cox-Singh Janet , Moon Robert W. , Lau Yee-Ling , Campino Susana , Clark Taane G.
Published: February 2023

The zoonotic Plasmodium knowlesi parasite is a growing public health concern in Southeast Asia, especially in Malaysia, where elimination of P. falciparum and P. vivax malaria has been the focus of control efforts. Understanding of the genetic diversity of P. knowlesi parasites can provide insights into its evolution, population structure, diagnostics, transmission dynamics, and the emergence of drug resistance. Previous work has revealed that P. knowlesi fall into three main sub-populations distinguished by a combination of geographical location and macaque host (Macaca fascicularis and M. nemestrina). It has been shown that Malaysian Borneo groups display profound heterogeneity with long regions of high or low divergence resulting in mosaic patterns between sub-populations, with some evidence of chromosomal-segment exchanges. However, the genetic structure of non-Borneo sub-populations is less clear. By gathering one of the largest collections of P. knowlesi whole-genome sequencing data, we studied structural genomic changes across sub-populations, with the analysis revealing differences in Borneo clusters linked to mosquito-related stages of the parasite cycle, in contrast to differences in host-related stages for the Peninsular group. Our work identifies new genetic exchange events, including introgressions between Malaysian Peninsular and M. nemestrina-associated clusters on various chromosomes, including in parasite invasion genes (DBP$$\beta$$
β
, NBPX$$\alpha$$
α
and NBPX$$\beta$$
β
), and important proteins expressed in the vertebrate parasite stages. Recombination events appear to have occurred between the Peninsular and M. fascicularis-associated groups, including in the DBP$$\beta$$
β
and DBP$$\gamma$$
γ
invasion associated genes. Overall, our work finds that genetic exchange events have occurred among the recognised contemporary groups of P. knowlesi parasites during their evolutionary history, leading to apparent mosaicism between these sub-populations. These findings generate new hypotheses relevant to parasite evolutionary biology and P. knowlesi epidemiology, which can inform malaria control approaches to containing the impact of zoonotic malaria on human communities.
Human cochlear microstructures at risk of electrode insertion trauma, elucidated in 3D with contrast-enhanced microCT
Authors: Starovoyt Anastasiya , Pyka Grzegorz , Putzeys Tristan , Balcaen Tim , Wouters Jan , Kerckhofs Greet , Verhaert Nicolas
Published: February 2023

Cochlear implant restores hearing loss through electrical stimulation of the hearing nerve from within the cochlea. Unfortunately, surgical implantation of this neuroprosthesis often traumatizes delicate intracochlear structures, resulting in loss of residual hearing and compromising hearing in noisy environments and appreciation of music. To avoid cochlear trauma, insertion techniques and devices have to be adjusted to the cochlear microanatomy. However, existing techniques were unable to achieve a representative visualization of the human cochlea: classical histology damages the tissues and lacks 3D perspective; standard microCT fails to resolve the cochlear soft tissues; and previously used X-ray contrast-enhancing staining agents are destructive. In this study, we overcame these limitations by performing contrast-enhanced microCT imaging (CECT) with a novel polyoxometalate staining agent Hf-WD POM. With Hf-WD POM-based CECT, we achieved nondestructive, high-resolution, simultaneous, 3D visualization of the mineralized and soft microstructures in fresh-frozen human cochleae. This enabled quantitative analysis of the true intracochlear dimensions and led to anatomical discoveries, concerning surgically-relevant microstructures: the round window membrane, the Rosenthal’s canal and the secondary spiral lamina. Furthermore, we demonstrated that Hf-WD POM-based CECT enables quantitative assessment of these structures as well as their trauma.
Nonlinear Rayleigh wave propagation in a layered half-space in dual-phase-lag
Authors: Youssef A. A. , Amein N. K. , Abdelrahman N. S. , Abou-Dina M. S. , Ghaleb A. F.
Published: February 2023

We investigate nonlinear Rayleigh wave propagation in a layered thermoelastic medium composed of a slab rigidly bonded to the surface of a half-space under prescribed external thermal boundary conditions within the dual-phase-lag theory. The heat conduction coefficient for both the slab and the matrix have a linear dependence on temperature. Our aim is to assess the effect of temperature dependence of the heat conductivity, as well as the thermal relaxation times, on the process of wave propagation in the layered medium. Poincaré expansion of the solution in a small parameter and the generation of higher harmonics allow to evaluate the coefficient of this nonlinear coupling in the slab through heat wave propagation measurement. For the used numerical values, the results show that some characteristics of the problem, e.g. the temperature, heat flux and one stress component suffer jumps at the interface, while the other stress components are continuous there. The jump in the heat flux is noticeable only in the first order of nonlinearity. The existence of jumps at the interface may be of interest for measurements. Comparison with the case of the half-space showed that the presence of the slab contributes to faster damping of the solution with depth in the half-space.
White Laue and powder diffraction studies to reveal mechanisms of HCP-to-BCC phase transformation in single crystals of Mg under high pressure
Authors: Vasilev Evgenii , Popov Dmitry , Somayazulu Maddury , Velisavljevic Nenad , Knezevic Marko
Published: February 2023

Mechanisms of hexagonal close-packed (HCP) to body-centered cubic (BCC) phase transformation in Mg single crystals are observed using a combination of polychromatic beam Laue diffraction and monochromatic beam powder diffraction techniques under quasi-hydrostatic pressures of up to 58 ± 2 GPa at ambient temperature. Although experiments were performed with both He and Ne pressure media, crystals inevitably undergo plastic deformation upon loading to 40–44 GPa. The plasticity is accommodated by dislocation glide causing local misorientations of up to 1°–2°. The selected crystals are tracked by mapping Laue diffraction spots up to the onset of the HCP to BCC transformation, which is determined to be at a pressure of 56.6 ± 2 GPa. Intensity of the Laue reflections from HCP crystals rapidly decrease but no reflections from crystalline BCC phase are observed with a further increase of pressure. Nevertheless, the powder diffraction shows the formation of 110 BCC peak at 56.6 GPa. The peak intensity increases at 59.7 GPa. Upon the full transformation, a powder-like BCC aggregate is formed revealing the destructive nature of the HCP to BCC transformation in single crystals of Mg.
The role of digital technology in surgical home hospital programs
Authors: Pathak Kavya , Marwaha Jayson S. , Tsai Thomas C.
Published: February 2023

Home hospital (HH), a care delivery model of providing hospital-grade care to patients in their homes, has become increasingly common in medical settings, though surgical uptake has been limited. HH programs have been shown to be safe and effective in a variety of medical contexts, with increased usage of this care pathway during the COVID-19 pandemic. Though surgical patients have unique clinical considerations, surgical Home Hospital (SHH) programs may have important benefits for this population. Various technologies exist for the delivery of hospital care in the home, such as clinical risk prediction models and remote patient monitoring platforms. Here, we use institutional experiences at Brigham and Women’s Hospital (BWH) to discuss the utility of technology in enabling SHH programs and highlight current limitations. Additionally, we comment on the importance of data interoperability, access for all patients, and clinical workflow design in successfully implementing SHH programs.
Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene
Authors: Wan Li , Hu Peilei , Zhang Lili , Wang Zhao-Xi , Fleming Joy , Ni Bo , Luo Jianjun , Guan Cha-Xiang , Bai Liqiong , Tan Yunhong , Liu Haican , Li Na , Xiao Tongyang , Bai Hua , Zhang Yong-An , Zhang Xian-En , Wan Kanglin , Bi Lijun , Ouyang Songying , Zhang Hongtai
Published: February 2023

Global control of the tuberculosis epidemic is threatened by increasing prevalence of drug resistant M. tuberculosis isolates. Many genome-wide studies focus on SNP-associated drug resistance mechanisms, but drug resistance in 5–30% of M. tuberculosis isolates (varying with antibiotic) appears unrelated to reported SNPs, and alternative drug resistance mechanisms involving variation in gene/protein expression are not well-studied. Here, using an omics approach, we identify 388 genes with lineage-related differential expression and 68 candidate drug resistance-associated gene pairs/clusters in 11 M. tuberculosis isolates (variable lineage/drug resistance profiles). Structural, mutagenesis, biochemical and bioinformatic studies on Rv3094c from the Rv3093c-Rv3095 gene cluster, a gene cluster selected for further investigation as it contains a putative monooxygenase/repressor pair and is associated with ethionamide resistance, provide insights on its involvement in ethionamide sulfoxidation, the initial step in its activation. Analysis of the structure of Rv3094c and its complex with ethionamide and flavin mononucleotide, to the best of our knowledge the first structures of an enzyme involved in ethionamide activation, identify key residues in the flavin mononucleotide and ethionamide binding pockets of Rv3094c, and F221, a gate between flavin mononucleotide and ethionamide allowing their interaction to complete the sulfoxidation reaction. Our work broadens understanding of both lineage- and drug resistance-associated gene/protein expression perturbations and identifies another player in mycobacterial ethionamide metabolism.
Dynamic molecular ordering in multiphasic nanoconfined ionic liquids detected with time-resolved diffusion NMR
Authors: Karagianni Marina , Gkoura Lydia , Srivastava Amit , Chatzichristos Aris , Tsolakis Nikolaos , Romanos George , Orfanidis Savvas , Panopoulos Nikolaos , Alhassan Saeed , Homouz Dirar , Hassan Jamal , Fardis Michael , Papavassiliou Georgios
Published: February 2023

Molecular motion in nanosized channels can be highly complicated. For example, water molecules in ultranarrow hydrophobic nanopores move rapidly and coherently in a single file, whereas by increasing the pore size they organize into coaxial tubes, displaying stratified diffusion. Interestingly, an analogous complex motion is predicted in viscous charged fluids, such as room temperature ionic liquids (RTILs) confined in nanoporous carbon or silica; however, experimental evidence is still pending. Here, by combining 1H NMR diffusion experiments in different relaxation windows with molecular dynamics simulations, we show that the imidazolium-based RTIL [BMIM]+[TCM]−, entrapped in the MCM-41 silica nanopores, exhibits an intricate dynamic molecular ordering; adsorbed RTIL molecules form a fluctuating charged layer near the pore walls, while in the bulk pore space they diffuse discretely in coaxial tubular shells, with molecular mean square displacement following a nearly ∼τ0.5 time dependence, characteristic of single file diffusion.
Arctic warming contributes to increase in Northeast Pacific marine heatwave days over the past decades
Authors: Song Se-Yong , Yeh Sang-Wook , Kim Hyerim , Holbrook Neil J.
Published: February 2023

The frequency and duration of marine heatwaves have been increasing with ocean warming due to climate change. In particular, the Northeast Pacific has experienced intense and extensive marine heatwaves since the late 1990s – characteristically called “the Blob”. Here, an investigation of satellite-derived and reanalysis data supported by idealized coupled model experiments show that Arctic warming plays an important role in the increase in Northeast Pacific marine heatwave days during boreal summers. Strong Arctic warming has acted to change the atmospheric circulation pattern over the Northeast Pacific and reduce the low-level cloud fraction from late spring to early summer. We show that the enhancement of solar radiative heat fluxes and reduced latent heat loss over a relatively large area has favored an increase in sea surface temperatures and marine heatwave days. An idealized model experiment performed here, designed to isolate the impact of Arctic warming, supports this hypothesis. The projected changes of Arctic climate on the occurrence of marine heatwaves should be considered in climate change adaptation and mitigation plans.
Bromide-mediated, C2-selective, and oxygenative alkylation of pyridinium salts using alkenes and molecular oxygen
Authors: Qiu Dong , Liu Huiyang , Sun Shuai , Ni Hongyan , Su Yijin
Published: February 2023

Herein, we report a bromide-mediated, C2-selective, and oxygenative alkylation of pyridinium salts using alkenes and O2 for the synthesis of biologically important β-2-pyridyl ketones.
Visible-light-induced dehydrogenative amidation of aldehydes enabled by iron salts
Authors: Gao Han , Guo Lin , Zhu Yining , Yang Chao , Xia Wujiong
Published: February 2023

A dehydrogenative amidation reaction of aldehydes and amines via an iron-mediated photoinduced ligand-to-metal charge transfer (LMCT) process is herein reported.
Catalyst-free synthesis of lithium hydride at room temperature
Authors: Zou Ren , Li Jialing , Cui Jirong , Zhang Weijin , Lei Gangtie , Cao Hujun , Chen Ping
Published: February 2023

An organic solvent-assisted catalyst-free mechanochemical reaction is developed to synthesize high purity (>98%) lithium hydride at room temperature and low H2 pressure.
V-shaped donor–acceptor organic emitters. A new approach towards efficient TADF OLED devices
Authors: Derkowski Wojciech , Kumar Dharmandra , Gryber Tomasz , Wagner Jakub , Morawiak Maja , Kochman Michał Andrzej , Kubas Adam , Data Przemysław , Lindner Marcin
Published: February 2023

We report the synthesis and characterization of a series of donor–acceptor TADF emitters with a new architecture, where the donor moiety and the dibenzazepine-based acceptor moiety are separated by a phenylene linker in a V-shaped spatial arrangement.
Noncovalent n → π*, C–H⋯π, and C–H⋯O interaction mediated supramolecular assembly in a Re(CO)3(trifluoroacetate) complex bearing a bulky tetraazaphenanthrene ligand: a combined CSD study and theoretical calculations
Authors: Kia Reza , Shojaei Hadis , Boyarskiy Vadim P. , Mikherdov Alexander S.
Published: February 2023

Inspection of the X-ray structure of the newly prepared Re(CO)3(OCOCF3) complex bearing a bulky NN-donor ligand with an extended π-system revealed the role of intermolecular n → π*, C–H⋯π, and C–H⋯O interactions in the supramolecular structure of the complex.
Definition of the tetrel bond
Authors: Varadwaj Pradeep R. , Varadwaj Arpita , Marques Helder M. , Yamashita Koichi
Published: February 2023

The definition of the term “tetrel bond” and instances of its occurance in chemical systems are proposed based on the evidence documented in the current literature.
Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors
Authors: Stoesser Julian , Engelage Elric , Belmonte Debora , Huber Stefan M.
Published: February 2023

A systematic comparison of brominated neutral halogen bond donors against their iodinated analogues in the gas phase, solid state, and in solution.
High confidence plasmonic sensor based on photonic crystal fibers with a U-shaped detection channel
Authors: Zhu Wanlai , Yi Yingting , Yi Zao , Bian Liang , Yang Hua , Zhang Jianguo , Yu Yang , Liu Chao , Li Gongfa , Wu Xianwen
Published: February 2023

A SPR-PCF sensor with U-shaped detection channel was designed and obtained a sensitivity of 24.1 μm RIU−1 and a figure of merit of 2410 RIU−1 in the refractive index range of 1.38–1.43 at the same time.
The peptide bond rupture mechanism in the serine proteases: an in silico study based on sequential scale models
Authors: Díaz-Cervantes Erik , Robles Juvencio , Solà Miquel , Swart Marcel
Published: February 2023

The minimum size of a model system to study the peptide bond rupture mechanism in KLK5 is determined using three sequential scale models.
A molecular dynamics and quantum mechanical investigation of intermolecular interaction and electron-transfer mechanism between copper-containing nitrite reductase and redox partner pseudoazurin
Authors: Li Xin , Zou Hang
Published: February 2023

This work illustrates the intermolecular interaction between CuNiR and redox partner PAz and demonstrates the crucial role of Met84 in intermolecular electron transfer.
Computational mining of GeH-based Janus III–VI van der Waals heterostructures for solar cell applications
Authors: Li Ruifeng , Shi Zhichao , Xiong Rui , Cui Zhou , Zhang Yinggan , Xu Chao , Zheng Jingying , Wu Bo , Sa Baisheng , Wen Cuilian
Published: February 2023

The screened In2STe/GeH vdW heterostructure is a direct type-II semiconductor with 1.25 eV band gap, directionally anisotropic carrier mobility, and good stability. Strain engineering can enhance the theoretical PCE to reach 19.71%.
Moving perfusion culture and live-cell imaging from lab to disc: proof of concept toxicity assay with AI-based image analysis
Authors: Serioli Laura , Gruzinskyte Lina , Zappalà Giulia , Hwu En Te , Laksafoss Trygvi Zachariassen , Jensen Peter Lunding , Demarchi Danilo , Müllertz Anette , Boisen Anja , Zór Kinga
Published: February 2023

We developed a compact perfusion cell culture with integrated wireless detection device for real-time optical monitoring. The platform enables long-term cell growth and cytotoxicity assay where cell viability is quantified using AI software.
On-demand microfluidic mixing by actuating integrated magnetic microwalls
Authors: Broeren Stef , Pereira Inês Figueiredo , Wang Tongsheng , den Toonder Jaap , Wang Ye
Published: February 2023

On-demand mixing using moulded magnetic microwalls integrated in a commercially available microfluidic channel and actuated by a single magnet.
Dynamic competitive strains enabled self-supporting Janus nanostructured films for high-performance airflow perception
Authors: Zhou Wei , Xiao Peng , Zhang Chang , Yang Qing , Chen Tao
Published: February 2023

A smart spiderweb composed of graphene/carbon sphere hybrid in a self-supported form was rationally designed, which enabled dynamic strain competition to efficiently perceive both an ultralow airflow of 0.0087 m s−1 and high velocity of 23 m s−1.
Surface reconstructed polymeric carbon nitride with promoted carrier separation for photocatalytic H2O2production
Authors: Lin Feng , Wang Tong , Lei Ying , Zhang Shaozheng , Yang Jianhui , Wang Yulin , Liu Jia , Yu Jiangang , Shi Jiale , Lv Liang
Published: February 2023

Herein, we synthesized a surface reconstructed polymeric carbon nitride through LiOH post-thermal treatment. The catalysts were applied in photocatalytic H2O2production.
Synthesis, crystal structure, DFT, and photovoltaic studies of BaCeCuS3
Authors: Shahid Omair , Yadav Sweta , Maity Debanjan , Deepa Melepurath , Niranjan Manish K. , Prakash Jai
Published: February 2023

Single crystals and a polycrystalline sample of BaCeCuS3were synthesized and characterized. The semiconducting BaCeCuS3shows ultralow thermal conductivity (0.32 W m−1 K−1at 773 K) and is promising for thermoelectric and photovoltaic applications.
A bis(silyldiamido) dysprosium single-molecule magnet
Authors: Han Tian , Ding You-Song
Published: February 2023

The coordination geometry between square and seesaw in the first silyldiamido dysprosium single-molecule magnet enables slow magnetic relaxation up to 42 K.
A light-operated dual-mode method for neuroblastoma diagnosis based on a Tb-MOF: from biometabolite detection to logic devices
Authors: Liu Yanhong , Dan Wenyan , Yan Bing
Published: February 2023

Tb-DBA can not only serve as a light-operated dual-mechanism driven platform to detect VMA (an early pathological feature of neuroblastoma), but can also produce a different fluorescence response to epinephrine (EP, the metabolic precursor of VMA).
Catalytic behavior of a ZnO/TiO2composite in the synthesis of polycarbonate diol
Authors: Chong Ran , Qian Fei , Sun Zhong-Hua , Wei Mei-Jun , Zhou Wei-You , Zhang Jing , He Ming-Yang , Chen Qun , Qian Jun-Feng
Published: February 2023

TiO2loaded with zinc oxide (ZnO/TiO2) catalysts were prepared and showed good catalytic performance of the transesterification of diphenyl carbonate (DPC) with 1,4-butanediol (BDO) to produce polycarbonate diol (PCDL).
Design strategies of Pt-based electrocatalysts and tolerance strategies in fuel cells: a review
Authors: Luo Wenlei , Jiang Yitian , Wang Mengwei , Lu Dan , Sun Xiaohui , Zhang Huahui
Published: February 2023

The latest developments of Pt-based electrocatalysts and their anti-CO poisoning mechanism are introduced. A brief perspective on the design of Pt-based electrocatalysts to inhibit CO poisoning in PEMFCs are also presented.
Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes
Authors: Yu Xiaotan , Gu Xiaoxia , Zhao Yunpeng , Wang Fengqing , Sun Weiguang , Qi Changxing , Gu Lianghu , Zhang Yonghui
Published: February 2023

A mild, modular and efficient synthetic method with broad substrate scope was developed for aspulvinones. Some of them exhibited anti-SARS-CoV-2 activity in a high-throughput screening and enzyme kinetics assay.
Tailoring the high-brightness “warm” white light emission of two-dimensional perovskite crystalsviaa pressure-inhibited nonradiative transition
Authors: Fang Yuanyuan , Wang Jingtian , Zhang Long , Niu Guangming , Sui Laizhi , Wu Guorong , Yuan Kaijun , Wang Kai , Zou Bo
Published: February 2023

We use pressure as a powerful tool to modulate the photoluminescence properties of the 2D perovskite (2meptH2)PbCl4. The rare, high-brightness, “warm” white light emission was successfully realizedviaa pressure-inhibited nonradiative transition.
Hydrogen in disordered titania: connecting local chemistry, structure, and stoichiometry through accelerated exploration
Authors: Chapman James , Kweon Kyoung E. , Zhu Yakun , Bushick Kyle , Bayu Aji Leonardus Bimo , Colla Christopher A. , Mason Harris , Goldman Nir , Keilbart Nathan , Qiu S. Roger , Heo Tae Wook , Rodriguez Jennifer , Wood Brandon C.
Published: February 2023

A combined experimental-and-computational, multi-scale framework for the prediction of hydrogen transport in disordered oxides.
Gold nanoparticles: promising biomaterials for osteogenic/adipogenic regulation in bone repair
Authors: Qiao Mingxin , Tang Wen , Xu Zhengyi , Wu Xiaoyue , Huang Wei , Zhu Zhou , Wan Qianbing
Published: February 2023

Gold nanoparticles display the regulatory property of pro-osteogenesis, anti-adipogenesis and anti-osteoclasis, thus promoting bone repair under hyperlipidemia.
Biodegradable nanomaterials for diagnosis and therapy of tumors
Authors: Cao Dongmiao , Chen Liang , Zhang Ziwen , Luo Yu , Zhao Linjing , Yuan Chunping , Lu Jie , Liu Xijian , Li Jingchao
Published: February 2023

Representative research advances of biodegradable nanomaterials with respect to the mechanism of degradation and their application in tumor imaging and therapy are summarized, and their research perspectives are indicated.
A cationic lipid with advanced membrane fusion performance for pDNA and mRNA delivery
Authors: Wei Yu , He Ting , Bi Qunjie , Yang Huan , Hu Xueyi , Jin Rongrong , Liang Hong , Zhu Yongqun , Tong Rongsheng , Nie Yu
Published: February 2023

Cationic lipids were designed to study the structure–activity relationship of hydrophobic parts. At a certain length, the unsaturation degrees significantly affected the transgene expression through enhancing membrane fusion and fluidity.
Preparation and characterization of transparent polymeric electrolyte containing ionic liquid with long alkyl chains for electroactive polymers
Authors: Dong Yuqing , Yeung Ka-Wai , Tang Chak-Yin , Wong Chi Ho , Law Wing-Cheung , Tsui Gary Chi-Pong , Xie Xiaolin
Published: February 2023

Ionic electroactive polymers made of PVA/C10MIMCl electrolytes were fabricated with high optical transparency and enhanced actuation performance due to the higher degree of ion dissociation and wider ion migration channels.