bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamozones are the most obvious sign of the evolution of conformational dynamics in HIV-1 protease
Authors: Rahimi Mohammad , Taghdir Majid , Abasi Joozdani Farzane
Published: August 2023

Proteins are not static but are flexible molecules that can adopt many different conformations. The HIV-1 protease is an important target for the development of therapies to treat AIDS, due to its critical role in the viral life cycle. We investigated several dynamics studies on the HIV-1 protease families to illustrate the significance of examining the dynamic behaviors and molecular motions for an entire understanding of their dynamics-structure–function relationships. Using computer simulations and principal component analysis approaches, the dynamics data obtained revealed that: (i) The flap regions are the most obvious sign of the evolution of conformational dynamics in HIV-1 protease; (ii) There are dynamic structural regions in some proteins that contribute to the biological function and allostery of proteins via appropriate flexibility. These regions are a clear sign of the evolution of conformational dynamics of proteins, which we call dynamozones. The flap regions are one of the most important dynamozones members that are critical for HIV-1 protease function. Due to the existence of other members of dynamozones in different proteins, we propose to consider dynamozones as a footprint of the evolution of the conformational dynamics of proteins.
Bound states in the continuum in anisotropic photonic crystal slabs
Authors: Chern Ruey-Lin , Chang Jui-Chien , Yang Hsueh-Chi
Published: August 2023

We investigate the bound states in the continuum (BICs) in photonic crystal slabs composed of alternating anisotropic and isotropic dielectric materials. According to the orientation of optical axis plane, three different configurations are proposed for analyzing various types of BICs, associated with extremely large quality factors and vanishing spectral linewidths. In particular, symmetry-protected (SP) BICs exist at the Brillouin zone center for zero rotation angle of the optical axis, which exhibit antisymmetric field patterns that are decoupled from the symmetric radiating fields. Accidental BICs and Friedrich-Wintgen (FW) BICs also occur at the Brillouin zone center for particular rotation angles of the optical axis. The former emerge on isolated bands with quasi-symmetric or quasi-antisymmetric field patterns, while the latter appear near the avoided crossing between two dispersion bands. At off the Brillouin zone center, SP BICs do not exist while accidental BICs and FW BICs appear at particular optical axis rotation angles, with similar features but somewhat more asymmetric field patterns than those at the Brillouin zone center.
Peptide nucleic acid-zirconium coordination nanoparticles
Authors: Öztürk Özgür , Lessl Anna-Lina , Höhn Miriam , Wuttke Stefan , Nielsen Peter E. , Wagner Ernst , Lächelt Ulrich
Published: August 2023

Ideal drug carriers feature a high loading capacity to minimize the exposure of patients with excessive, inactive carrier materials. The highest imaginable loading capacity could be achieved by nanocarriers, which are assembled from the therapeutic cargo molecules themselves. Here, we describe peptide nucleic acid (PNA)-based zirconium (Zr) coordination nanoparticles which exhibit very high PNA loading of $$>\,94\%$$

>

94
%

w/w. This metal-organic hybrid nanomaterial class extends the enormous compound space of coordination polymers towards bioactive oligonucleotide linkers. The architecture of single- or double-stranded PNAs was systematically varied to identify design criteria for the coordination driven self-assembly with Zr(IV) nodes at room temperature. Aromatic carboxylic acid functions, serving as Lewis bases, and a two-step synthesis process with preformation of $$Zr_{6} O_{4} (OH)_{4}$$

Z

r
6

O
4

(
O
H
)

4

turned out to be decisive for successful nanoparticle assembly. Confocal laser scanning microscopy confirmed that the PNA-Zr nanoparticles are readily internalized by cells. PNA-Zr nanoparticles, coated with a cationic lipopeptide, successfully delivered an antisense PNA sequence for splicing correction of the $$\beta$$
β
-globin intron mutation IVS2-705 into a functional reporter cell line and mediated splice-switching via interaction with the endogenous mRNA splicing machinery. The presented PNA-Zr nanoparticles represent a bioactive platform with high design flexibility and extraordinary PNA loading capacity, where the nucleic acid constitutes an integral part of the material, instead of being loaded into passive delivery systems.
Green “turn-off” luminescent nanosensors for the sensitive determination of desperately fluorescent antibacterial antiviral agent and its metabolite in various matrices
Authors: Elbardisy Hadil M. , Elnaggar Mai M. , Belal Tarek S. , Ragab Mahmoud A. , El-Yazbi Amira F.
Published: August 2023

Nitazoxanide (NTX) is an antimicrobial drug that was used for the treatment of various protozoa. However, during the coronavirus pandemic, NTX has been redirected for the treatment of such virus that primarily infect the respiratory tract system. NTX is now used as a broad-spectrum antiviral agent. In this study, a highly sensitive and green spectrofluorometric method was developed to detect NTX in various dosage forms and its metabolite, tizoxanide (TX), in human plasma samples using nitrogen and sulfur co-doped carbon quantum dots nanosensors (C-dots). A simple and eco-friendly hydrothermal method was used to synthetize water soluble C-dots from citric acid and l-cysteine. After excitation at 345 nm, the luminescence intensity was measured at 416 nm. Quenching of C-dots luminescence occurred upon the addition of NTX and was proportional to NTX concentration. Assessment of the quenching mechanism was performed to prove that inner filter effect is the underlying molecular mechanism of NTX quenching accomplished. After optimizing all experimental parameters, the analytical procedure was evaluated and validated using the ICH guidelines. The method linearity, detection and quantification limits of NTX were 15 × 10–3–15.00 µg/mL, 56.00 × 10–4 and 15 × 10–3 µg/mL, respectively. The proposed method was applied for the determination of NTX in its commercial pharmaceutical products; Nanazoxid® oral suspension and tablets. The obtained % recovery, relative standard deviation and % relative error were satisfactory. Comparison with other reported spectrofluorimetric methods revealed the superior sensitivity of the proposed method. Such high sensitivity permitted the selective determination of TX, the main metabolite of NTX, in human plasma samples making this study the first spectrofluorimetric method in literature that determine TX in human plasma samples. Moreover, the method greenness was assessed using both Eco-Scale and AGREE approaches to prove the superiority of the proposed method greenness over other previously published spectrofluorimetric methods for the analysis of NTX and its metabolite, TX, in various dosage forms and in human plasma samples.
Evidence of natural selection in the mitochondrial-derived peptides humanin and SHLP6
Authors: Gruschus James M. , Morris Daniel L. , Tjandra Nico
Published: August 2023

Mitochondrial-derived peptides are encoded by mitochondrial DNA but have biological activity outside mitochondria. Eight of these are encoded by sequences within the mitochondrial 12S and 16S ribosomal genes: humanin, MOTS-c, and the six SHLP peptides, SHLP1-SHLP6. These peptides have various effects in cell culture and animal models, affecting neuroprotection, insulin sensitivity, and apoptosis, and some are secreted, potentially having extracellular signaling roles. However, except for humanin, their importance in normal cell function is unknown. To gauge their importance, their coding sequences in vertebrates have been analyzed for synonymous codon bias. Because they lie in RNA genes, such bias should only occur if their amino acids have been conserved to maintain biological function. Humanin and SHLP6 show strong synonymous codon bias and sequence conservation. In contrast, SHLP1, SHLP2, SHLP3, and SHLP5 show no significant bias and are poorly conserved. MOTS-c and SHLP4 also lack significant bias, but contain highly conserved N-terminal regions, and their biological importance cannot be ruled out. An additional potential mitochondrial-derived peptide sequence was discovered preceding SHLP2, named SHLP2b, which also contains a highly conserved N-terminal region with synonymous codon bias.
Clinical and imaging characteristics, outcomes and prognostic factors of intraocular foreign bodies extracted by vitrectomy
Authors: Liu Xin , Bai Qinzhu , Song Xiande
Published: August 2023

To investigate the clinical and computer tomography (CT) features and visual prognostic factors of pars plana vitrectomy (PPV) for management of retained posterior segment intraocular foreign body (IOFB). Medical records of 96 patients with IOFB removed by PPV between July 2017 and June 2021 were retrieved. The medical records, including demographic data, initial and final best corrected visual acuity (BCVA) using standard Snellen chart, characteristics of IOFB, CT findings, and surgical details, were reviewed. Outcome was evaluated according to the final BCVA and prognostic factors were obtained. The mean age was 42.31 ± 12.05 years (range 13–71 years) with 94 males (97.9%) and two females (2.1%). CT was sensitive of IOFB in 93.75% (90 eyes) and the locations were consistent with that found during PPV: 20 foreign bodies were located in vitreous, 6 near ciliary body, and 70 on or in retina. Mean diameter of IOFB removed by PPV is 3.52 mm ± 3.01 mm (range 1–22; median 3), and mean area is 6.29 ± 6.48 mm2 (range 0.5–40; median 3), which was statistically associated with the initial VA < 0.1 and endophthalmitis. Endophthalmitis was found in 24 (25.0%) eyes and large wound together with scleral entry site might be related to the endophthalmitis. Visual outcome < 0.1 was associated with relative afferent pupillary defect, initial VA < 0.1, and presence of endophthalmitis. Initial VA ≥ 0.1 was independent predictive factor for a better final BCVA. Relative afferent pupillary defect, initial BCVA < 0.1, and presence of endophthalmitis are poor visual prognostic factors.
Identification of donor Bacteroides vulgatus genes encoding proteins that correlate with early colonization following fecal transplant of patients with recurrent Clostridium difficile
Authors: Koo Hyunmin , Morrow Casey D.
Published: August 2023

Due to suppressive antibiotics, patients with recurrent Clostridium difficile have gut microbial communities that are devoid of most commensal microbes. Studies have shown that most of the failures using fecal microbe transplantation (FMT) for recurrent C. difficile occur during the first 4 weeks following transplantation. To identify features of donor Bacteroides vulgatus that lead to early colonization, we used two data sets that collected fecal samples from recipients at early times points post FMT. The first analysis used the shotgun metagenomic DNA sequencing data set from Aggarwala et al. consisting of 7 FMT donors and 13 patients with recurrent C. difficile with fecal samples taken as early as 24 h post FMT. We identified 2 FMT donors in which colonization of recipients by donor B. vulgatus was detected as early as 24 h post FMT. We examined a second data set from Hourigan et al. that collected fecal samples from C. difficile infected children and identified 1 of 3 FMT that also had early colonization of the donor B. vulgatus. We found 19 genes out of 4911 encoding proteins were unique to the 3 donors that had early colonization. A gene encoding a putative chitobiase was identified that was in a gene complex that had been previously identified to enhance colonization in mice. A gene encoding a unique fimbrillin (i.e., pili) family protein and 17 genes encoding hypothetical proteins were also specific for early colonizing donors. Most of the genes encoding hypothetical proteins had neighboring genes that encoded proteins involved in mobilization or transposition. Finally, analysis of 42 paired fecal samples from the human microbiome project (HMP) found no individuals had all 19 genes while 2 individuals had none of the 19 genes. Based on the results from our study, consideration should be given to the screening of FMT donors for these B. vulgatus genes found to enhance early colonization that would be of benefit to promote colonization following FMT.
Constant false alarm rate detection of pipeline leakage based on acoustic sensors
Authors: An Guorui , Huang Zuheng , Li Yanbing
Published: August 2023

During the transportation of oil and gas pipelines, there are many potential factors that can lead to pipeline leakage with serious consequences, making automatic and real-time pipeline leakage detection urgent. In response to the inconvenience of manual detection, constant false alarm rate (CFAR) detection technique in radar target detection theory is introduced for pipeline leakage detection based on acoustic signals. In this paper, an automatic pipeline leakage detection algorithm based on an improved CFAR detector is proposed. The improved CFAR detection is executed after pre-processing the acoustic signals so as to adaptively set the detection threshold to achieve the purpose of automatic detection of pipeline leakage incidents. A simulated leakage test of a real pipeline is used for validation, and the proposed method achieves detection accuracies of 84.6%, 97.7%, and 98% for different leakage diameter settings, i.e., 5 mm, 7 mm, and 10 mm leak hole diameters, respectively, with an overall accuracy of 94.1%, while the false alarm rates are 3.3%, 0.7%, and 0, respectively, as well as an overall of 1.2%. The results of experimental data based on real scenarios demonstrate the effectiveness of the proposed method.
Diverse effects of prostacyclin on angiogenesis-related processes in the porcine endometrium
Authors: Szymanska Magdalena , Blitek Agnieszka
Published: August 2023

Angiogenesis is important for endometrial remodeling in mature females. The endometrium synthesizes high amounts of prostacyclin (PGI2) but the role of PGI2 in angiogenesis-related events in this tissue was not fully described. In the present study, porcine endometrial endothelial (pEETH) cells and/or a swine umbilical vein endothelial cell line (G1410 cells) were used to determine the regulation of PGI2 synthesis and PGI2 receptor (PTGIR) expression by cytokines and to evaluate the effect of PGI2 on pro-angiogenic gene expression, intracellular signaling activation, cell proliferation and migration, cell cycle distribution, and capillary-like structure formation. We found that IL1β, IFNγ, and/or TNFα increased PGI2 secretion and PTGIR expression in pEETH cells. Iloprost (a PGI2 analogue) acting through PTGIR enhanced the transcript abundance of KDR, FGFR2, and ANGPT2 and increased proliferation of pEETH cells. This latter was mediated by PI3K and mTOR activation. In support, transfection of G1410 cells with siRNA targeting PGI2 synthase decreased pro-angiogenic gene expression and cell proliferation. Furthermore, iloprost accelerated the gap closure and promoted cell cycle progression. Intriguingly, the formation of capillary-like structures was inhibited but not completely blocked by iloprost. These findings point to a complex pleiotropic role of PGI2 in angiogenesis-related events in the porcine uterus.
Importance of residue 248 in Escherichia coli RNase P RNA mediated cleavage
Authors: Mao Guanzhong , Srivastava Abhishek S. , Wu Shiying , Kosek David , Kirsebom Leif A.
Published: August 2023

tRNA genes are transcribed as precursors and RNase P generates the matured 5' end of tRNAs. It has been suggested that residue − 1 (the residue immediately 5ʹ of the scissile bond) in the pre-tRNA interacts with the well-conserved bacterial RNase P RNA (RPR) residue A248 (Escherichia coli numbering). The way A248 interacts with residue − 1 is not clear. To gain insight into the role of A248, we analyzed cleavage as a function of A248 substitutions and N−1 nucleobase identity by using pre-tRNA and three model substrates. Our findings are consistent with a model where the structural topology of the active site varies and depends on the identity of the nucleobases at, and in proximity to, the cleavage site and their potential to interact. This leads to positioning of Mg2+ that activates the water that acts as the nucleophile resulting in efficient and correct cleavage. We propose that in addition to be involved in anchoring the substrate the role of A248 is to exclude bulk water from access to the amino acid acceptor stem, thereby preventing non-specific hydrolysis of the pre-tRNA. Finally, base stacking is discussed as a way to protect functionally important base-pairing interactions from non-specific hydrolysis, thereby ensuring high fidelity during RNA processing and the decoding of mRNA.
Early transcriptomic host response signatures in the serum of dengue patients provides insights into clinical pathogenesis and disease severity
Authors: Yadav Aanchal , Shamim Uzma , Ravi Varsha , Devi Priti , Kumari Pallawi , Maurya Ranjeet , Das Poonam , Somani Madhuri , Budhiraja Sandeep , Tarai Bansidhar , Pandey Rajesh
Published: August 2023

Dengue virus (DENV), known to cause viral infection, belongs to the family Flaviviridae, having four serotypes (DENV1-4) that spreads by the bite of the Aedes aegypti mosquito. India has been suffering from dengue outbreaks annually with widespread epidemics by prevalence of all the four DENV serotypes. The diverse spectrum of clinical manifestations in dengue infection, mild to severe forms, makes the need of timely diagnosis and prompt treatment an essence. The identification of a dengue host response signature in serum can increase the understanding of dengue pathogenesis since most dengue NS1 Ag tests have been developed and evaluated in serum samples. Here, to understand the same, we undertook a dual RNA-sequencing (RNA-Seq) based approach from the serum samples of dengue-infected patients. The results thus yield the early transcriptional signatures that discriminated the high viral reads patients from patients who had low dengue viral reads. We identified a significant upregulation of two sets of genes, key antiviral (IFIT3, RSAD2, SAT1) and vascular dysfunction (TNFS10, CXCL8) related genes in the high viral reads group. Deeper delving of this gene profile revealed a unique two-way response, where the antiviral genes can mediate the disease course to mild, contrarily the increased expression of the other gene set might act as pointers of severe disease course. Further, we explored the hematologic parameters from the complete blood count (CBC), which suggests that lymphocytes (low) and neutrophils (high) might serve as an early predictor of prognosis in dengue infection. Collectively, our findings give insights into the foundation for further investigation of the early host response using the RNA isolated from dengue patients’ serum samples and opens the door for careful monitoring of the early clinical and transcriptome profiles for management of the dengue patients.
Compact high-efficiency energy harvesting positive and negative DC supplies voltage for battery-less CMOS receiver
Authors: Mansour Marwa , Mansour Islam
Published: August 2023

In this paper, novel compact high-efficiency multi-band rectifiers that supply positive and negative output voltages are demonstrated for energy harvesting applications. The proposed voltage doubler circuits are used as real DC voltage supplies of radio frequency mm-wave CMOS receivers. Operating multi-band rectifiers have a complicated structure that required more resonance networks to force the rectifier to work in multi-band. Novel series and parallel resonance networks are implemented to force the rectifier to operate in dual-band at frequencies of 850 and 1400 MHz. The proposed resonance network eliminates the Schottky diode impedance variation as the input power or frequency changes and supports the impedance matching and minimizes the insertion loss. A novel high-quality sine-shape micro-strip inductor that obtains a quality factor above 65 over the frequency band from 200 to 1400 MHz and inductance equal to 14 ± 2 nH is designed to improve efficiency and enhance performance at low power levels. The first suggested RF voltage doubler rectifier with series resonance feedback between the input and cathode of the diode and parallel resonance operates at two frequency bands of 850 and 1400 MHz and obtains a peak conversion efficiency of 59%, a saturated output DC voltage is 2.5 V, and the conversion efficiency is 40% at RF-input-power of − 10 dBm. This voltage doubler achieves the required DC supply parameter (1.1 V and 450 uA) for biasing the mm-wave receiver at an RF input power of 0 dBm. Otherwise, the second suggested negative voltage rectifier has a maximum simulated conversion efficiency of 65%, saturated negative DC-voltage is − 3.5 V, and the conversion efficiency is 45% at an RF input power of − 10 dBm. The negative voltage rectifier obtains DC supply parameters (− 0.5 V and no current condition used for a gate bias) at − 10 dBm input power.
Visualization of nanoscale magnetic domain states in the asteroid Ryugu
Authors: Kimura Yuki , Kato Takeharu , Tanigaki Toshiaki , Akashi Tetsuya , Kasai Hiroto , Anada Satoshi , Yoshida Ryuji , Yamamoto Kazuo , Nakamura Tomoki , Sato Masahiko , Amano Kana , Kikuiri Mizuha , Morita Tomoyo , Kagawa Eiichi , Yada Toru , Nishimura Masahiro , Nakato Aiko , Miyazaki Akiko , Yogata Kasumi , Abe Masanao , Okada Tatsuaki , Usui Tomohiro , Yoshikawa Makoto , Saiki Takanao , Tanaka Satoshi , Terui Fuyuto , Nakazawa Satoru , Yurimoto Hisayoshi , Noguchi Takaaki , Okazaki Ryuji , Yabuta Hikaru , Naraoka Hiroshi , Sakamoto Kanako , Watanabe Sei-ichiro , Tsuda Yuichi , Tachibana Shogo
Published: August 2023

In the samples collected from the asteroid Ryugu, magnetite displays natural remanent magnetization due to nebular magnetic field, whereas contemporaneously grown iron sulfide does not display stable remanent magnetization. To clarify this counterintuitive feature, we observed their nanoscale magnetic domain structures using electron holography and found that framboidal magnetites have an external magnetic field of 300 A m−1, similar to the bulk value, and its magnetic stability was enhanced by interactions with neighboring magnetites, permitting a disk magnetic field to be recorded. Micrometer-sized pyrrhotite showed a multidomain magnetic structure that was unable to retain natural remanent magnetization over a long time due to short relaxation time of magnetic-domain-wall movement, whereas submicron-sized sulfides formed a nonmagnetic phase. These results show that both magnetite and sulfide could have formed simultaneously during the aqueous alteration in the parent body of the asteroid Ryugu.
Layered MoS2: effective and environment-friendly nanomaterial for photocatalytic degradation of methylene blue
Authors: Kisała Joanna , Wojnarowska-Nowak Renata , Bobitski Yaroslav
Published: August 2023

Photocatalytic degradation is a promising method for removing persistent organic pollutants from water because of its low cost (see solar-driven photocatalysis), high mineralisation of pollutants, and low environmental impact. Photocatalysts based on transition metal dichalcogenides (TMDs) have recently attracting high scientific interest due to their unique electrical, mechanical, and optical properties. A MoS2 photocatalyst of the layered structure was managed to photodegrade methylene blue (MB) under visible light irradiation. The catalyst was thoroughly characterised using SEM, AFM, powder XRD, UV–Vis, Raman, and XPS measurements. The photocatalytic degradation of the MB solution was conducted under the following conditions: (i) reductive and (ii) oxidative. The impact of optical and electronic properties, and the MoS2-MB interaction on photocatalytic activity, was discussed. The apparent rate constants (kapp) of degradation were 3.7 × 10–3; 7.7 × 10–3; 81.7 × 10–3 min−1 for photolysis, oxidative photocatalysis, and reductive photocatalysis. Comparison of the degradation efficiency of MB in reductive and oxidative processes indicates the important role of the reaction with the surface electron. In the oxidation process, oxygen reacts with an electron to form a superoxide anion radical involved in further transformations of the dye, whereas, in the reduction process, the addition of an electron destabilises the chromophore ring and leads to its rupture.
HYFIS vs FMR, LWR and Least squares regression methods in estimating uniaxial compressive strength of evaporitic rocks
Authors: Hassan Mohamed Yusuf , Arman Hasan
Published: August 2023

The uniaxial compressive strength (UCS) of the rock is one of the most important design parameters in various engineering applications. Therefore, the UCS requires to be either preciously measured through extensive field and laboratory studies or could be estimated by employing machine learning techniques and several other measured physical and mechanical explanatory rock parameters. This study is proposed to estimate the UCS of the evaporitic rocks by using a simple, measured point load index (PLI) and Schmidt Hammer (SHVRB) test rock blocks of evaporitic rocks. Finite mixture regression model (FMR), hybrid fuzzy inference systems model (HYFIS), multiple regression model (MLR), and locally weighted regression (LWR) are employed to predict the UCS. Different algorithms are implemented, including expectation–maximization (EM) algorithm, Mamdani fuzzy rule structures, Gradient descent-based learning algorithm with multilayer perceptron (MLP), and the least squares. Coefficient of Determination (R2), Root Mean Square Error (RMSE), Mean Absolute Error (MAE) and A20-index accuracy measures are used to compare the performances of the competing models. Based on all the above measures, LWR outperformed with the other models whereas the HYFIS model has a slight advantage over the other two models.
Synthesis and characterization of Ce0.5Bi0.5VO4/rGO nanocomposite by sonochemical method for photocatalytic desulfurization of petroleum derivatives
Authors: Farahani Mohadeseh , Mousavi-Kamazani Mehdi , Salarvand Zohreh
Published: August 2023

In order to improve the desulfurization efficiency of petroleum derivatives, Ce0.5Bi0.5VO4/rGO nanocomposite was synthesized by sonochemical method. The prepared nanocomposites were characterized by XRD, FESEM, EDS, FT-IR, BET, and DRS analyses. XRD analysis shows that the synthesized nanocomposite is amorphous. FESEM images showed that nanostructures with a smaller particle size distribution were synthesized under optimal conditions, i.e. controlling the synthesis temperature between 0 and 5 °C. The results of desulfurization showed that nanocomposites containing reduced graphene oxide (rGO) have higher photocatalytic efficiency than pure samples, the main reason of which can be better charge separation in the samples through the π electron in the rGO structure. The highest amount of desulfurization of CeVO4/rGO, BiVO4/rGO, and Ce0.5Bi0.5VO4/rGO nanocomposites was 95.62, 91.25, and 96.38%, respectively, after exposure to UV light for 40 min. The enhancement of photocatalytic activity of Ce0.5Bi0.5VO4/rGO composite could be attributed to the efficient separation of electron–hole pairs and the inhibition of recombination. Desulfurization in the presence of hydrochloric acid and hydrogen peroxide increased the efficiency by 12%, which is a significant amount.
The impact of short-duration precipitation events over the historic Cauvery basin: a study on altered water resource patterns and associated threats
Authors: Ghosh Satyajit , Barik Dillip Kumar , Renganayaki Parimala , Kang Boosik , Gumber Siddharth , Venkatesh Sundarapandian , Saini Dev Shree , Akunuri Srichander
Published: August 2023

The Cauvery Delta, the ‘Rice Bowl’ of India follows a time-tested cultivation pattern over several irrigation zones. However, in this era of the Anthropocene, it is now well-established that short-duration, intense precipitation episodes will batter the flood plains year after year. The purpose of this first study is thus to quantify the impacts that such episodes may have on the floodplains of the Cauvery Delta and the concomitant threats to the historic Kallanai Dam. Precipitation events during the North-East monsoon period are driven not just by warm rain microphysics but also by large frozen hydrometeors falling from deep clouds causing undesirable flooding over the region to the extent of 66%. Additionally, from an assessment of the velocity heads and the floodwater depths, this study projects a heightened vulnerability. The total extent of submergence along riverbanks and other flow paths was estimated to be 145.98 $${\mathrm{km}}^{2}$$

km

2

out of which 65.14% of the submerged area is agricultural land. The most important conceptual advance established in this paper is that sub-zones in major watersheds that are currently safe will get inundated in the RCP8.5 warming scenario in 2050.
Development of sustainable biomass residues for biofuels applications
Authors: Shah Mudasir Akbar , Hayder Gasim , Kumar Rahul , Kumar Vimal , Ahamad Tansir , Kalam Md. Abul , Soudagar Manzoore Elahi Mohammad , Mohamed Shamshuddin Sathgatta Zaheeruddin , Mubarak Nabisab Mujawar
Published: August 2023

A comprehensive understanding of physiochemical properties, thermal degradation behavior and chemical composition is significant for biomass residues before their thermochemical conversion for energy production. In this investigation, teff straw (TS), coffee husk (CH), corn cob (CC), and sweet sorghum stalk (SSS) residues were characterized to assess their potential applications as value-added bioenergy and chemical products. The thermal degradation behavior of CC, CH, TS and SSS samples is calculated using four different heating rates. The activation energy values ranged from 81.919 to 262.238 and 85.737–212.349 kJ mol−1 and were generated by the KAS and FWO models and aided in understanding the biomass conversion process into bio-products. The cellulose, hemicellulose, and lignin contents of CC, CH, TS, and SSS were found to be in the ranges of 31.56–41.15%, 23.9–32.02%, and 19.85–25.07%, respectively. The calorific values of the residues ranged from 17.3 to 19.7 MJ/kg, comparable to crude biomass. Scanning electron micrographs revealed agglomerated, irregular, and rough textures, with parallel lines providing nutrient and water transport pathways in all biomass samples. Energy Dispersive X-ray spectra and X-ray diffraction analysis indicated the presence of high carbonaceous material and crystalline nature. FTIR analysis identified prominent band peaks at specific wave numbers. Based on these findings, it can be concluded that these residues hold potential as energy sources for various applications, such as the textile, plastics, paints, automobile, and food additive industries.
In vitro and in vivo studies of plant-produced Atezolizumab as a potential immunotherapeutic antibody
Authors: Rattanapisit Kaewta , Bulaon Christine Joy I. , Strasser Richard , Sun Hongyan , Phoolcharoen Waranyoo
Published: August 2023

Immune checkpoint inhibitors are a well-known class of immunotherapeutic drugs that have been used for effective treatment of several cancers. Atezolizumab (Tecentriq) was the first antibody to target immune checkpoint PD-L1 and is now among the most commonly used anticancer therapies. However, this anti-PD-L1 antibody is produced in mammalian cells with high manufacturing costs, limiting cancer patients’ access to the antibody treatment. Plant expression system is another platform that can be utilized, as they can synthesize complex glycoproteins, are rapidly scalable, and relatively cost-efficient. Herein, Atezolizumab was transiently produced in Nicotiana benthamiana and demonstrated high expression level within 4–6 days post-infiltration. After purification by affinity chromatography, the purified plant-produced Atezolizumab was compared to Tecentriq and showed the absence of glycosylation. Furthermore, the plant-produced Atezolizumab could bind to PD-L1 with comparable affinity to Tecentriq in ELISA. The tumor growth inhibitory activity of plant-produced Atezolizumab in mice was also found to be similar to that of Tecentriq. These findings confirm the plant’s capability to serve as an efficient production platform for immunotherapeutic antibodies and suggest that it could be used to alleviate the cost of existing anticancer products.
Stratocumulus adjustments to aerosol perturbations disentangled with a causal approach
Authors: Fons Emilie , Runge Jakob , Neubauer David , Lohmann Ulrike
Published: August 2023

A large fraction of the uncertainty around future global warming is due to the cooling effect of aerosol-liquid cloud interactions, and in particular to the elusive sign of liquid water path (LWP) adjustments to aerosol perturbations. To quantify this adjustment, we propose a causal approach that combines physical knowledge in the form of a causal graph with geostationary satellite observations of stratocumulus clouds. This allows us to remove confounding influences from large-scale meteorology and to disentangle counteracting physical processes (cloud-top entrainment enhancement and precipitation suppression due to aerosol perturbations) on different timescales. This results in weak LWP adjustments that are time-dependent (first positive then negative) and meteorological regime-dependent. More importantly, the causal approach reveals that failing to account for covariations of cloud droplet sizes and cloud depth, which are, respectively, a mediator and a confounder of entrainment and precipitation influences, leads to an overly negative aerosol-induced LWP response. This would result in an underestimation of the cooling influence of aerosol-cloud interactions.
Combining nitric oxide and calcium sensing for the detection of endothelial dysfunction
Authors: Andreeva Valeriia D. , Ehlers Haley , R. C. Aswin Krishna , Presselt Martin , J. van den Broek Lenie , Bonnet Sylvestre
Published: August 2023

Cardiovascular diseases are the leading cause of death worldwide and are not typically diagnosed until the disease has manifested. Endothelial dysfunction is an early, reversible precursor in the irreversible development of cardiovascular diseases and is characterized by a decrease in nitric oxide production. We believe that more reliable and reproducible methods are necessary for the detection of endothelial dysfunction. Both nitric oxide and calcium play important roles in the endothelial function. Here we review different types of molecular sensors used in biological settings. Next, we review the current nitric oxide and calcium sensors available. Finally, we review methods for using both sensors for the detection of endothelial dysfunction.
Cross-inhibition leads to group consensus despite the presence of strongly opinionated minorities and asocial behaviour
Authors: Reina Andreagiovanni , Zakir Raina , De Masi Giulia , Ferrante Eliseo
Published: August 2023

Strongly opinionated minorities can have a dramatic impact on the opinion dynamics of a large population. Two factions of inflexible minorities, polarised into two competing opinions, could lead the entire population to persistent indecision. Equivalently, populations can remain undecided when individuals sporadically change their opinion based on individual information rather than social information. Our analysis compares the cross-inhibition model with the voter model for decisions between equally good alternatives, and with the weighted voter model for decisions among alternatives characterised by different qualities. Here we show that cross-inhibition, contrary to the other two models, is a simple mechanism that allows the population to reach a stable majority for one alternative even in the presence of a relatively high amount of asocial behaviour. The results predicted by the mean-field models are confirmed by experiments with swarms of 100 locally interacting robots. This work suggests an answer to the longstanding question of why inhibitory signals are widespread in natural systems of collective decision making, and, at the same time, it proposes an efficient mechanism for designing resilient swarms of minimalistic robots.
Oxidative coupling of methane under microwave: core–shell catalysts for selective C2 production and homogeneous temperature control
Authors: Kaneda Reina , Palomo José , Hu Lingjun , Urakawa Atsushi
Published: August 2023

The oxidative coupling of methane (OCM) was investigated using a catalyst with a core@shell structure or a physical mixture comprised of MgO and SiC or Fe3O4, which was thermally activated via conventional resistive heating or microwave heating.
Heteroleptic copper(i) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies
Authors: Naina Vanitha R. , Singh Akhil K. , Shubham  , Krätschmer Frederic , Lebedkin Sergei , Kappes Manfred M. , Roesky Peter W.
Published: August 2023

A series of heteroleptic Cu(i) complexes based on coumarin aminodiphosphine and diimine ligands have been synthesized and a systematic way to tune the emissive colour of the complexes is described.
Complexation of Am(iii) and Eu(iii) with DRAPA (N,N-dialkyl-6-amide-pyridine-2-carboxylic acid)
Authors: Xu Chao , Liu Tingting , Liu Qian , Yang Suliang , Li Dingming , Tian Guoxin
Published: August 2023

O–N–O atom binding coordination provides a contrast example for the design of pyridine-based extractants for separating An(iii) from Ln(iii).
Immobilizing ultrasmall Pt nanocrystals on 3D interweaving BCN nanosheet-graphene networks enables efficient methanol oxidation reaction
Authors: Shen Binfeng , Wei Yujie , Sun Pengyun , He Haiyan , Ying Guobing , Huang Huajie
Published: August 2023

A stereo-assembly strategy is developed for the bottom-up construction of ultrasmall Pt immobilized on 3D interweaving B-doped g-C3N4 nanosheet-graphene networks, which exhibit exceptional electrocatalytic methanol oxidation ability.
Feasibility of laser-induced breakdown spectroscopy for determination of neodymium in magnet alloys
Authors: de Carvalho Elias Aline , Luz Maciel Santos , Gaubeur Ivanise , Naozuka Juliana , Piovezani Rocha Fábio Rodrigo , Nomura Cassiana Seimi
Published: August 2023

The quantification of rare earth elements in (Nd–Pr)–FeB alloys used in the production of super magnets is required to ensure the quality of the raw material and a final product with suitable properties.
Research progress in liquid cooling technologies to enhance the thermal management of LIBs
Authors: Zhou Rui , Chen Yumei , Zhang Jiawen , Guo Pan
Published: August 2023

This paper starts with lithium-ion battery thermal management using a liquid-cooled BTMS. It then reviews recent design improvements for liquid-cooled systems, covering cooling liquid, system structure, and hybrid setups. These insights enhance lithium-ion battery cooling system optimization.
Naphthylthiazoles: a class of broad-spectrum antifungals
Authors: Hagras Mohamed , Abutaleb Nader S. , Ezzat Hany G. , Salama Ehab A. , Seleem Mohamed N. , Mayhoub Abdelrahman S.
Published: August 2023

Cryptococcal infections remain a major cause of mortality worldwide due to the ability of Cryptococci to pass through the blood–brain barrier (BBB) causing lethal meningitis.
Chemoselective C(sp)–H borylation of terminal alkynes catalyzed by a bis(N-heterocyclicsilylene) manganese complex
Authors: Ahuja Himani , Kaur Harleen , Arevalo Rebeca
Published: August 2023

The manganese(ii) complex [Mn(SiNSi)Cl2] (SiNSi = 2,6-[EtNSi(NtBu)2CPh]2C5H3N) is an efficient catalyst for the chemoselective C(sp)–H borylation of terminal alkynes.
Single electron transfer catalysis by diphenylthiourea under visible light photoredox conditions
Authors: Dey Dhananjay , Kundu Abhishek , Roy Monojit , Singh Vikramjeet , Maji Shyamali , Adhikari Debashis
Published: August 2023

Diphenylthiourea, upon deprotonation and subsequent photoexcitation, has been shown to reductively cleave an aryl bromide bond, paving the way for multiple chemical transformations.
Mechanoluminescence, thermoluminescence, optically stimulated luminescence and photoluminescence in SrAl2O4:Eu micro- and nanophosphors: effect of particle size and annealing in different atmospheres
Authors: Sharma Lucky , Sahare P. D.
Published: August 2023

Mechanoluminescence set up for ML measurements using dynamic compressive load.
Understanding SEI evolution during the cycling test of anode-free lithium-metal batteries with LiDFOB salt
Authors: Hawari Naufal Hanif , Xie Huiqing , Prayogi Achmad , Sumboja Afriyanti , Ding Ning
Published: August 2023

The solid electrolyte interphase (SEI) on Li deposits determines the performance of anode-free lithium metal batteries. LiDFOB salt in a full-cell configuration promotes inorganic-rich SEI and dense Li plating, positively affecting Li reversibility.
Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study
Authors: Ahmad Sajjad , Khan Momin , Alam Aftab , Ajmal Amar , Wadood Abdul , Khan Azim , AlAsmari Abdullah F. , Alharbi Metab , Alshammari Abdulrahman , Shakoor Abdul
Published: August 2023

Synthesis of flurbiprofen based oxadiazole derivatives as potent urease inhibitors.
Electrospun silk nanofiber loaded with Ag-doped TiO2with high-reactive facet as multifunctional air filter
Authors: Wanwong Sompit , Sangkhun Weradesh , Jiamboonsri Pimsumon , Butburee Teera
Published: August 2023

Silk nanocomposite, made by electrospun of silk nanofiber loaded with Ag-doped TiO2, is used as a multifunctional air filter for PM2.5removal, VOC degradation and antimicrobial activity.
Theophylline-based hybrids as acetylcholinesterase inhibitors endowed with anti-inflammatory activity: synthesis, bioevaluation,in silicoand preliminary kinetic studies
Authors: Elgazar Abdullah A. , El-Domany Ramadan A. , Eldehna Wagdy M. , Badria Farid A.
Published: August 2023

In this study, conjugation of theophylline with different compounds of natural origin led to new hybrids with dual activity against cholinergic and inflammatory pathways as potential agents for management of Alzheimer's disease (AD).
Synthesis of Pr3+-doped WO3 particles: correlation between photoluminescent and photocatalytic properties
Authors: Lovisa L. X. , dos Santos D. F. , Santiago A. A. G. , Teodoro M. D. , Bomio M. R. D. , Motta F. V.
Published: August 2023

The photoluminescent and photocatalytic properties of WO3 were investigated as a function of the Pr3+ doping effect. The Pr3+ ion favored the photocatalytic activities due to the low recombination rate of the photogenerated charges.
How to measure work functions from aqueous solutions
Authors: Pugini Michele , Credidio Bruno , Walter Irina , Malerz Sebastian , Trinter Florian , Stemer Dominik , Hergenhahn Uwe , Meijer Gerard , Wilkinson Iain , Winter Bernd , Thürmer Stephan
Published: August 2023

Fermi referencing and work-function determination from aqueous solutions is enabled by the control of extrinsic potentials, which are unique to streaming liquids. Concentration-dependent changes in both quantities are described for the first time.
Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited
Authors: Johnson Catherine Ellen , Schwarz Jesper , Deegbey Mawuli , Prakash Om , Sharma Kumkum , Huang Ping , Ericsson Tore , Häggström Lennart , Bendix Jesper , Gupta Arvind Kumar , Jakubikova Elena , Wärnmark Kenneth , Lomoth Reiner
Published: August 2023

Photoluminescence of the FeIII complex occurs only from its 2LMCT state while its higher-energy but shorter-lived 2MLCT state is non-luminescent. Blue emission arises instead from a photoproduct of the non-emitting FeII complex.
Experimental observations of fractal landscape dynamics in a dense emulsion
Authors: Rodríguez-Cruz Clary , Molaei Mehdi , Thirumalaiswamy Amruthesh , Feitosa Klebert , Manoharan Vinothan N. , Sivarajan Shankar , Reich Daniel H. , Riggleman Robert A. , Crocker John C.
Published: August 2023

Experimental study of a mayonnaise-like dense emulsion shows evidence of fractal energy landscape dynamics, confirming results of a recent computational model.
Exfoliated NbSe2 nanosheet@polypyrrole hybrid nanocomposites as a high performance anode of lithium-ion batteries
Authors: Kang Byung-Ho , Shin Seulgi , Nam Kunwoo , Bae Joonwon , Oh Jong-Min , Koo Sang-Mo , Sohn Hiesang , Park Sung-Hoon , Shin Weon Ho
Published: August 2023

Transition metal dichalcogenides (TMDCs), as next-generation two-dimensional materials, have gained considerable attention in energy storage applications through the incorporation of functional materials.
Theoretical studies on surface kinetics and growth properties of Sb2Se3 and Sb2S3
Authors: Zhang Xu-Jie , Zhou Jie , Shu Da-Jun
Published: August 2023

Complicated potential energy surfaces and diffusion properties are present on the (001) and (010) surfaces of Sb2Se3 and Sb2S3 due to their low symmetry. Growth mechanism can be accordingly predicted and compared with the experimental results.
Orthogonal solvent-sequential deposition of a nonfullerene acceptor solution on polymer donor film: complete interpenetration and highly efficient inverted organic solar cells
Authors: Liu Haizhen , Zhang Zesheng , Yuan Dong , Chen Mingqing , Jiang Haiying , Liang Jiahao , Chen Xing , Sun Di , Zhang Lianjie , Liu Linlin , Ma Yuguang , Chen Junwu
Published: August 2023

An orthogonal solvent sequentially deposited active layer with complete interpenetration was achieved by casting an acceptor solution on polymer donor film, giving high efficiency in inverted organic solar cells.
Cochet—Bonnet aesthesiometer‐determined corneal sensitivity in neonatal foals and adult horses
Authors: Brooks D. E. , Clark C. K. , Lester G. D.
Published: August 2023

Corneal touch threshold (CTT) was measured in sick neonatal foals, healthy foals, and healthy adult horses with a Cochet—Bonnet aesthesiometer. The mean overall CTT for the adult horses, sick foals, and healthy foals was 4.82 ± 0.87 cm, 3.21 ± 0.24 cm, and 5.01 ± 0.61 cm, respectively. The central cornea of adult horses was more sensitive than the limbal cornea. Corneal sensitivity was significantly reduced in sick neonatal foals compared to adults. The mean Schirmer I tear test values were significantly lower in foals than adults, and were 14.2 ± 1.0 mm, 12.8 ± 2.4 mm, and 18.3 ± 2.1 mm wetting in sick neonatal foals, normal neonatal foals, and adult horses, respectively. Reduced corneal sensation and lower tear production may be associated with ulcerative keratitis and slow corneal healing in some foals.
Open your black box classifier
Authors: Lisboa Paulo Jorge Gomes
Published: August 2023

A priority for machine learning in healthcare and other high stakes applications is to enable end‐users to easily interpret individual predictions. This opinion piece outlines recent developments in interpretable classifiers and methods to open black box models.