bluuebunny/crossref_metadata_2025 huggingface dataset:
Silvopastoral systems and remnant forests enhance carbon storage in livestock-dominated landscapes in Mexico
Authors: Aryal Deb Raj , Morales-Ruiz Danilo Enrique , López-Cruz Susana , Tondopó-Marroquín César Noe , Lara-Nucamendi Alejandra , Jiménez-Trujillo José Antonio , Pérez-Sánchez Edwin , Betanzos-Simon Juan Edduardo , Casasola-Coto Francisco , Martínez-Salinas Alejandra , Sepúlveda-López Claudia Janeth , Ramírez-Díaz Roselia , La O Arias Manuel Alejandro , Guevara-Hernández Francisco , Pinto-Ruiz René , Ibrahim Muhammad
Published: October 2022

A large area of the terrestrial land surface is used for livestock grazing. Trees on grazing lands provide and can enhance multiple ecosystem services such as provisioning, cultural and regulating, that include carbon sequestration. In this study, we assessed the above- and belowground carbon stocks across six different land-uses in livestock-dominated landscapes of Mexico. We measured tree biomass and soil organic carbon (SOC) stocks in fodder banks, live fences, pasturelands with dispersed trees, secondary forests, and primary forests from three different geographical regions and compared them with conventional open pasturelands respectively. We also calculated tree diversity indices for each land-use and their similarity with native primary forests. The aboveground woody biomass stocks differed significantly between land-uses and followed the gradient from less diverse conventional open pasturelands to silvopastoral systems and ecologically complex primary forests. The SOC stocks showed a differential response to the land-use gradient dependent on the study region. Multivariate analyses showed that woody biomass, fine root biomass, and SOC concentrations were positively related, while land-use history and soil bulk density showed an inverse relationship to these variables. Silvopastoral systems and forest remnants stored 27–163% more carbon compared to open pasturelands. Our results demonstrate the importance of promoting appropriate silvopastoral systems and conserving forest remnants within livestock-dominated landscapes as a land-based carbon mitigation strategy. Furthermore, our findings also have important implications to help better manage livestock-dominated landscapes and minimize pressures on natural protected areas and biodiversity in the hotspots of deforestation for grassland expansion.
Mechanical properties of murine hippocampal subregions investigated by atomic force microscopy and in vivo magnetic resonance elastography
Authors: Morr Anna S. , Nowicki Marcin , Bertalan Gergely , Vieira Silva Rafaela , Infante Duarte Carmen , Koch Stefan Paul , Boehm-Sturm Philipp , Krügel Ute , Braun Jürgen , Steiner Barbara , Käs Josef A. , Fuhs Thomas , Sack Ingolf
Published: October 2022

The hippocampus is a very heterogeneous brain structure with different mechanical properties reflecting its functional variety. In particular, adult neurogenesis in rodent hippocampus has been associated with specific viscoelastic properties in vivo and ex vivo. Here, we study the microscopic mechanical properties of hippocampal subregions using ex vivo atomic force microscopy (AFM) in correlation with the expression of GFP in presence of the nestin promoter, providing a marker of neurogenic activity. We further use magnetic resonance elastography (MRE) to investigate whether in vivo mechanical properties reveal similar spatial patterns, however, on a much coarser scale. AFM showed that tissue stiffness increases with increasing distance from the subgranular zone (p = 0.0069), and that stiffness is 39% lower in GFP than non-GFP regions (p = 0.0004). Consistently, MRE showed that dentate gyrus is, on average, softer than Ammon´s horn (shear wave speed = 3.2 ± 0.2 m/s versus 4.4 ± 0.3 m/s, p = 0.01) with another 3.4% decrease towards the subgranular zone (p = 0.0001). The marked reduction in stiffness measured by AFM in areas of high neurogenic activity is consistent with softer MRE values, indicating the sensitivity of macroscopic mechanical properties in vivo to micromechanical structures as formed by the neurogenic niche of the hippocampus.
Adaptability and sustainability of machine learning approaches to traffic signal control
Authors: Korecki Marcin
Published: October 2022

This study investigates how adaptable Machine Learning Traffic Signal control methods are to topological variability. We ask how well can these methods generalize to non-Manhattan-like networks with non-uniform distances between intersections. A Machine Learning method that is highly reliable in various topologies is proposed and compared with state-of-the-art alternatives. Lastly, we analyze the sustainability of different traffic signal control methods based on computational efforts required to achieve convergence and perform training and testing. We show that our method achieves an approximately seven-fold improvement in terms of CO$$_2$$2emitted in training over the second-best method.
Pore topology, volume expansion and pressure development in chemically-induced foam cements
Authors: Han WooJin , Park Junghee , Cha Wonjun , Lee Jong-Sub , Santamarina J. Carlos
Published: October 2022

Foam cement is an engineered lightweight material relevant to a broad range of engineering applications. This study explores the effects of aluminum chips on cement-bentonite slurry expansion, pressure development, and the evolution of pore topology. The terminal volume expansion under free-boundary conditions or the pressure build up under volume-controlled conditions are a function of the aluminum mass ratio, bentonite mass ratio, and aluminum chip size. X-ray CT images show that finer aluminum chips create smaller pores but result in a larger volume expansion than when larger sized chips are used; on the other hand, large chip sizes result in unreacted residual aluminum. Time-lapse CT images clearly show the sequence of processes which lead to the development of foam cement: gas bubble nucleation, bubble growth, capillary-driven grain displacement enhanced by the presence of bentonite, coalescence, percolation, gas leakage and pore collapse. These results illustrate the potential to customize the mixture composition of chemically-induced gassy cement to control expansion and pressure build up, and to minimize percolating discontinuities and gas release.
Neuroinflammation and neuroprogression produced by oxidative stress in euthymic bipolar patients with different onset disease times
Authors: Lima Daniela Delwing-de , Cyrino Luiz Arthur Rangel , Ferreira Gabriela Kozuchovski , Magro Débora Delwing Dal , Calegari Claudia Regina , Cabral Heloisi , Cavichioli Natalia , Ramos Silvia Aparecida , Ullmann Oliver Matheus , Mayer Yasmin , Pscheidt Luana Carla , Schramm Maria Augusta , Tomasi Maria Cecília , Stammerjohann Felipe Luis Schmoller , Delmonego Larissa , Packer Maria Helena , Fiamoncini Heloiza
Published: October 2022

Bipolar disorder (BD) is associated with systemic toxicity, represented by changes in biomarkers associated with mood episodes, leading to neurological damage, which may reflect cognitive functions and functionality and the progression of the disease. We aimed to analyze the effect of four biomarkers, superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GSH-Px), and thiobarbituric acid reactive substances (TBA-RS), related to oxidative stress in BD and to correlate them with cognitive functions and functionality. We studied 50 bipolar types I/II patients in the euthymic phase, which was divided into two subgroups with 25 patients each (≤ 3 years and ≥ 10 years of diagnosis, from the first episode of mania) and 25 control patients. To analyze frontal cognitive functions and functionality, we used the Frontal Assessment Battery (FAB) and Functioning Assessment Short Test (FAST) tests, respectively. The scores of the FAST and FAB tests showed an increase and decrease respectively, in both bipolar groups, when compared to the control group, demonstrating impairment in cognitive functions and functionality since the disease onset. In addition, changes occurred in all six domains of the FAST test, and in four domains of the FAB test in bipolar patients when compared to the control group. Regarding oxidative stress biomarkers, we did not find changes in SOD and GSH-Px activities; however, a significant increase in CAT activity and lipid peroxidation was observed in both groups, although the patients were euthymic and medicated. These results allow us to raise the hypothesis that since the beginning of the disease, the euthymic bipolar patient has presented a level of oxidative stress, which gets worse with the evolution of the disease, promoting impairments in the frontal cognitive functions and functionality gradually.
Domestication of captive-bred masu salmon Oncorhynchus masou masou (Salmonidae) leads to a significant decrease in numbers of lateral line organs
Authors: Nakae Masanori , Hasegawa Koh , Miyamoto Kouta
Published: October 2022

Because captive-bred animals gradually adapt to artificial rearing environments due to evolving life history traits, such individuals sometimes show lessened performance in natural environments. The lateral line system, one of the principal sensory organs of fishes, varies according to habitat environments, sometimes differing even within the same species. A reduction in lateral line elements may also occur in successive generations of captive-bred fish. Such a reduction, involving neuromasts over the entire body, was examined for the first time in captive-bred masu salmon Oncorhynchus masou masou. The total number of neuromasts in captive-bred fish was ca. 10% lower than in wild-caught and F1 fishes, suggesting that the system in captive-bred fish had reduced in number due to domestication. Furthermore, differences in total neuromast numbers between captive-bred and wild fish were greater than between anadromous and fluvial populations of the species. The lower number of neuromasts could be one of the reasons behind the lower survival of captive-bred fish in natural environments.
Periodical propagation of torsion in polymer gels
Authors: Yamada Yuhei , Otsuka Yuji , Mao Zebing , Maeda Shingo
Published: October 2022

Gel actuators have potential in soft robotics. Although gel actuators can realize various motions like contraction, expansion, and bending, most require external inputs such as batteries and circuits. Herein we propose a periodical torsional motion hydrogel driven by chemical energy from the Belousov-Zhabotinsky (BZ) reaction. Our BZ gel system exhibits autonomous motion without a battery. The elastic moduli of the redox states of the BZ gel are investigated using stress–strain analysis. An experimental system, which integrates the BZ gel and two PDMS (dimethylpolysiloxane) rotators, is designed to evaluate torsion angles. The experimental pre-twist angle dependence of the rotary motion is compared with a theoretical rotation model. The results agree qualitatively. This study should contribute to the development of soft actuators without external components.
No effect of short term exposure to gambling like reward systems on post game risk taking
Authors: D’Amico Nicholas J. , Drummond Aaron , de Salas Kristy , Lewis Ian , Waugh Callan , Bannister Breanna , Sauer James D.
Published: October 2022

Is engaging with gambling-like video game rewards a risk factor for future gambling? Despite speculation, there are no direct experimental tests of this “gateway hypothesis”. We test a mechanism that might support this pathway: the effects of engaging with gambling-like reward mechanisms on risk-taking. We tested the hypothesis that players exposed to gambling-like rewards (i.e., randomised rewards delivered via a loot box) would show increased risk-taking compared to players in fixed and no reward control conditions. 153 participants (Mage = 25) completed twenty minutes of gameplay—including exposure to one of the three reward conditions—before completing a gamified, online version of the Balloon Analogue Risk Task (BART). Self-reports of gambling and loot box engagement were collected via the Problem Gambling Severity Index, and Risky Loot-Box Index. Bayesian t-tests comparing BART scores across reward conditions provided moderate to strong evidence for a null effect of condition on risk-taking (BF = 4.05–10.64). Null effects were not moderated by players’ problem gambling symptomatology. A Spearman correlation between past loot box engagement and self-reported gambling severity (rs = 0.35) aligned with existing literature. Our data speak against a “gateway” hypothesis, but add support to the notion that problem gambling symptoms might make players vulnerable to overspending on loot boxes.
Vitamin D status and determinants in Indian children and adolescents: a multicentre study
Authors: Khadilkar Anuradha , Kajale Neha , Oza Chirantap , Oke Rashmi , Gondhalekar Ketan , Patwardhan Vivek , Khadilkar Vaman , Mughal Zulf , Padidela Raja
Published: October 2022

Studies performed on Indian children to assess vitamin-D status have been on small sample sizes, limited to specific geographical locations and used non-standard methods to measure 25(OH)D3. This multicentre study assessed 25(OH)D3 concentrations from dried blood spots (DBS) in 5–18-year-old Indian children and adolescents using a standardized protocol and identified factors contributing towards vitamin D deficiency. Cross-sectional, observational school-based study was conducted by multi-stage stratified random sampling. A city and nearby village were selected from 6 Indian states covering wide geographical areas. Demography, anthropometry, body-composition, dietary-intakes and DBS samples were collected. 25(OH)D3 was assessed from DBS using Liquid chromatography with tandem-mass spectrometry. Vitamin-D status was assessed in 2500 children; with additional data collected on a subset (n = 669) to assess predictors. Mean vitamin-D concentration was 45.8 ± 23.9 nmol/L, 36.8% of subjects had sufficient vitamin-D (> 50 nmol/L); rural subjects and boys had higher concentrations (p < 0.05). On regression analysis, younger age, female-gender, overweight and urban residence significantly contributed to deficiency. More than half the Indian children/adolescents were vitamin-D deficient or insufficient. Our study reinforces vitamin-D deficiency as a major public health problem and the need for supplementation, food fortification and educating the population as initiatives required to improve sufficiency status.
Neighborhood deprivation and coronary heart disease in patients with bipolar disorder
Authors: Jansåker Filip , Nymberg Veronica Milos , Sundquist Jan , Okuyama Kenta , Hamano Tsuyoshi , Sundquist Kristina , Li Xinjun
Published: October 2022

The aim was to study the potential effect of neighborhood deprivation on incident and fatal coronary heart disease (CHD) in patients with bipolar disorder. This was a nationwide cohort study which included all adults aged 30 years or older with bipolar disorder (n = 61,114) in Sweden (1997–2017). The association between neighborhood deprivation and the outcomes was explored using Cox regression analysis, with hazard ratios (HRs) and 95% confidence intervals (CIs). Patients with bipolar disorder living in neighborhoods with high or moderate levels of deprivation were compared with those living in neighborhoods with low deprivation scores. There was an association between level of neighborhood deprivation and incident and fatal CHD among patients with bipolar disorder. The HRs were 1.24 (95% CI 1.07–1.44) for men and 1.31 (1.13–1.51) for women for incident CHD among patients with bipolar disorder living in high deprivation neighborhoods compared to those from low deprivation neighborhoods, after adjustments for potential confounders. The corresponding HR for fatal CHD were 1.35 (1.22–1.49) in men and 1.30 (1.19–1.41) in women living in high deprivation neighborhoods. Increased incident and fatal CHD among patients with bipolar disorder living in deprived neighborhoods raises important clinical and public health concerns.
Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction
Authors: Duwal Sakun , McCoy Chad A. , Dolan III Daniel H. , Melton Cody A. , Knudson Marcus D. , Root Seth , Hacking Richard , Farfan Bernardo , Johnson Christopher , Alexander C. Scott , Seagle Christopher T.
Published: October 2022

Lattice and electronic structure interactions for f-electrons are fundamental challenges for lanthanide equation of state development. Difficulties in first-principles calculations, such as density functional theory (DFT), emphasize the need for well-characterized experimental data. Here, we measure in-situ x-ray diffraction of shocked samarium (Sm) and temperature along the Hugoniot for the first time, providing direct evidence for phase transitions. We report direct evidence of a distorted fcc (dfcc) phase at 23 GPa. Shocked samarium melts from the dfcc phase starting at 33 GPa (1333 K), with complete melt at 40 GPa (1468 K). Previous work indicated shock melt at 27 GPa (1200 K), underscoring the significance of x-ray measurements for detecting phase transitions. Interestingly, our observed melting is in sharp contrast with the melting reported by a diamond anvil cell study. These experimental data can tightly constrain first principles calculations and serve as key touchstones for equation of state modeling.
Attogram-level light-induced antigen-antibody binding confined in microflow
Authors: Iida Takuya , Hamatani Shota , Takagi Yumiko , Fujiwara Kana , Tamura Mamoru , Tokonami Shiho
Published: October 2022

The analysis of trace amounts of proteins based on immunoassays and other methods is essential for the early diagnosis of various diseases such as cancer, dementia, and microbial infections. Here, we propose a light-induced acceleration of antigen-antibody reaction of attogram-level proteins at the solid-liquid interface by tuning the laser irradiation area comparable to the microscale confinement geometry for enhancing the collisional probability of target molecules and probe particles with optical force and fluidic pressure. This principle was applied to achieve a 102-fold higher sensitivity and ultrafast specific detection in comparison with conventional protein detection methods (a few hours) by omitting any pretreatment procedures; 47–750 ag of target proteins were detected in 300 nL of sample after 3 minutes of laser irradiation. Our findings can promote the development of proteomics and innovative platforms for high-throughput bio-analyses under the control of a variety of biochemical reactions.
Downbeat delays are a key component of swing in jazz
Authors: Nelias Corentin , Sturm Eva Marit , Albrecht Thorsten , Hagmayer York , Geisel Theo
Published: October 2022

To which extent and how do jazz musicians synchronize their timing to create swing? Swing is a salient feature of jazz music, yet its main psychoacoustical and musical components have remained elusive—save the obvious long-short subdivision of quarter notes. In particular, the possible role of microtiming deviations for swing has been a subject of long-standing controversy. Adopting an operational definition of swing we present a study which ultimately demonstrates a positive effect of certain microtiming deviations on swing. We manipulate the timing of original piano recordings to carry out an experiment with professional and semi-professional jazz musicians measuring the swing of different timing conditions. Thereby we prove that slightly delayed downbeats and synchronized offbeats of a soloist with respect to a rhythm section enhance swing. Analyzing a set of 456 jazz improvisations we find that many jazz musicians do use minute downbeat delays. These results show that systematic microtiming deviations in the form of downbeat delays are a key component of swing in jazz.
Corrugation-driven symmetry breaking in magic-angle twisted bilayer graphene
Authors: Rakib Tawfiqur , Pochet Pascal , Ertekin Elif , Johnson Harley T.
Published: October 2022

The discovery of unconventional superconductivity in magic-angle twisted bilayer graphene (tBLG) supported the twist-angle-induced flat band structure predictions made a decade earlier. Numerous physical properties have since been linked to the interlayer twist angle using the flat band prediction as a guideline. However, some key observations like the nematic phase and striped charge order behind the superconductivity are missing in this initial model. Here we show that a thermodynamically stable large out-of-plane displacement, or corrugation of the bilayer, induced by the interlayer twist, demonstrates partially filled states of the flat band structure, accompanied by a broken symmetry, in the magic-angle regime and the presence of symmetry breaking associated with the superconductivity in tBLG. The distinction between low and high corrugation can also explain the observed evolution of the vibrational spectra of tBLG as a function of twist angle. Our observation that large out-of-plane deformation modes enable partial filling of states near the Fermi energy may lead to a strategy for offsetting the effects of disorder in the local twist angle, which suppresses unconventional superconductivity and correlated insulator behavior in magic-angle tBLG.
An anomalous topological phase transition in spatial random graphs
Authors: van der Kolk Jasper , Serrano M. Ángeles , Boguñá Marián
Published: October 2022

Clustering–the tendency for neighbors of nodes to be connected–quantifies the coupling of a complex network to its latent metric space. In random geometric graphs, clustering undergoes a continuous phase transition, separating a phase with finite clustering from a regime where clustering vanishes in the thermodynamic limit. We prove this geometric to non-geometric phase transition to be topological in nature, with anomalous features such as diverging entropy as well as atypical finite-size scaling behavior of clustering. Moreover, a slow decay of clustering in the non-geometric phase implies that some real networks with relatively high levels of clustering may be better described in this regime.
Revealing the uncharacterised diversity of amphibian and reptile viruses
Authors: Harding Emma F , Russo Alice G , Yan Grace J H , Mercer Lewis K , White Peter A
Published: October 2022

Amphibians and non-avian reptiles represent a significant proportion of terrestrial vertebrates, however knowledge of their viruses is not proportional to their abundance. Many amphibians and reptiles have strict habitual environments and localised populations and are vulnerable to viral outbreaks and potential elimination as a result. We sought to identify viruses that were hidden in amphibian and reptile metatranscriptomic data by screening 235 RNA-sequencing datasets from a 122 species covering 25 countries. We identified 26 novel viruses and eight previously characterised viruses from fifteen different viral families. Twenty-five viruses had RNA genomes with identity to Arteriviridae, Tobaniviridae, Hantaviridae, Rhabdoviridae, Astroviridae, Arenaviridae, Hepeviridae, Picornaviridae, Orthomyxoviridae, Reoviridae, Flaviviridae and Caliciviridae. In addition to RNA viruses, we also screened datasets for DNA viral transcripts, which are commonly excluded from transcriptomic analysis. We identified ten DNA viruses with identity to Papillomaviridae, Parvoviridae, Circoviridae and Adomaviridae. With the addition of these viruses, we expand the global amphibian and reptile virome and identify new potentially pathogenic viruses that could challenge populations. We speculate that amphibian viruses often have simpler genomes than those in amniotes, as in the case of the Secondpapillomavirinae and Orthomyxoviridae viruses identified in this study. In addition, we find evidence of inter-family recombination in RNA viruses, and we also identify new members of the recombinant Adomaviridae family. Overall, we provide insights into the uncharacterised diversity of amphibian and reptile viruses with the aim of improving population management, treatment and conservation into the future.
Electrochemically functionalized graphene for highly sensitive detection of nitrofurazone
Authors: Yin Jiaxi , Cui Hairong , Lei Ling , Wu Kangbing
Published: October 2022

The electrochemically functionalized graphene nanosheets (EGS) possesses more oxygen-containing groups and higher defect level, showing superior electrochemical sensing performance.
Pirfenidone-loaded exosomes derived from pancreatic ductal adenocarcinoma cells alleviate fibrosis of premetastatic niches to inhibit liver metastasis
Authors: Zhao Jing , Zhu Yun , Li Zhuojin , Liang Jiawei , Zhang Yin , Zhou Siqi , Zhang Yixuan , Fan Zhiwen , Shen Yonghua , Liu Yifeng , Zhang Feng , Shen Shanshan , Xu Guifang , Wang Lei , Lv Ying , Zhang Shu , Zou Xiaoping
Published: October 2022

Pirfenidone delivery systems based on pancreatic cancer cell exosomes precisely reach HSCs and alleviate fibrotic microenvironments, thus inhibiting tumour metastasis.
Sulfonated polybenzothiazole cathode materials for Na-ion batteries
Authors: Wang Gang , Yang Shuai , Ding Youchi , Lu Mingxia , Hua Bingyan , Kang Jiaqi , Tang Wenshuai , Wei Hongliang , Zhu Limin , Cao Xiaoyu
Published: October 2022

A new flexible aromatic polymer sulfonated polybenzothiazole (sPBT-SE) with sulphone and ether units is reported as an advanced cathode material for storing Na+, which delivers a high discharge capacity of 103 mA h g−1 after 350 cycles at 30 mA g−1.
Stability of alkyl carbocations
Authors: Hansen Thomas , Vermeeren Pascal , Bickelhaupt F. Matthias , Hamlin Trevor A.
Published: October 2022

The traditional and widespread rationale behind the stability trend of alkyl-substituted carbocations is incomplete.
Phase control of ZIF-7 nanoparticles via mechanochemical synthesis
Authors: Zulkifli Muhammad Yazid Bin , Yao Yuqi , Chen Ruiqi , Chai Milton , Su Kun , Li Xuemei , Zhou Yinghong , Lin Rijia , Zhu Zhonghua , Liang Kang , Chen Vicki , Hou Jingwei
Published: October 2022

MOF crystal phase control is made possible through a mechanochemical process.
Recognition of stapled histone H3K4me3 peptides by epigenetic reader proteins
Authors: Betlem Peter , Maas Marijn N. , Middelburg Jim , Pieters Bas J. G. E. , Mecinović Jasmin
Published: October 2022

Epigenetic reader proteins can display stronger or weaker binding affinities for cyclic histone peptides relative to linear histones, indicating that selectivity of biomolecular recognition can be achieved.
Mannobioside biomimetics that trigger DC-SIGN binding selectivity
Authors: Herrera-González Irene , Thépaut Michel , Sánchez-Fernández Elena M. , di Maio Antonio , Vivès Corinne , Rojo Javier , García Fernández José M. , Fieschi Franck , Nieto Pedro M. , Ortiz Mellet Carmen
Published: October 2022

Oligosaccharide biomimetics featuring sp2-iminosugar motifs enable selective C-type lectin recognition, as exemplified here for DC-SIGN vs langerin, offering new opportunities for immunomodulation.
Biomimetic models of [Fe]-hydrogenase featuring a 2-acylphenylthiomethyl-6-R-pyridine (R = H or OMe) ligand
Authors: Song Li-Cheng , Zhang Zhen-Qing , Liu Bei-Bei , Wang Yin-Peng , Chen Shuai
Published: October 2022

A new flexible pyridine ligand (FPL)-based method is developed, by which two novel biomimetic models of [Fe]-H2ase are prepared and their enzyme-like H2/D2 activation functions are studied.
Trans-selective cyclizations of alpha-bromocarboxamides and E/Z-mixed internal olefins catalyzed by a Fe salt
Authors: Nakashima Yusei , Ishimaru Shinya , Nishikata Takashi
Published: October 2022

Herein, we describe a protocol for trans-selective cyclizations of α-bromocarboxamides and E/Z-mixed internal olefins catalyzed by a Fe salt.
Photocatalytic deracemisation of cobalt(iii) complexes with fourfold stereogenicity
Authors: Schmidt Tanno A. , Sparr Christof
Published: October 2022

The deracemisation of fourfold stereogenic cobalt(iii) diketonates with a chiral photocatalyst is described.
Realization of Heisenberg models of spin systems with polar molecules in pendular states
Authors: Yue Wenjing , Wei Qi , Kais Sabre , Friedrich Bretislav , Herschbach Dudley
Published: October 2022

Ultra-cold polar diatomic or linear molecules, oriented in an external electric field and mutually coupled by dipole–dipole interactions, can be used to realize the exact Heisenberg XYZ, XXZ and XY models without invoking any approximation.
Third-order pump-probe spectroscopy applied to molecular dimers: characterization of relaxation dynamics and exciton–exciton annihilation
Authors: Glaab Fabian , Süβ Jasmin , Engel Volker
Published: October 2022

Exciton–exciton annihilation in a dimer, described within the basis of localizes monomer states.
Regulation of different protonated states of two intimate histidine residues on the reductive half-reaction of glucose oxidase
Authors: Yang Yuning , Luo Xin , Xie Yuxin , Li Xin , Liu Sijun , Liu Nian , Chen Xiaohua
Published: October 2022

In glucose oxidase, the protonization of His505/His548 can control the deprotonization of glucose like controllers. Arg210 provides the driving force for hydride transfer from glucose to isoalloxazine via long-range electrostatic attraction like a horse.
BRD4: quantum mechanical protein–ligand binding free energies using the full-protein DFT-based QM-PBSA method
Authors: Gundelach Lennart , Fox Thomas , Tautermann Christofer S. , Skylaris Chris-Kriton
Published: October 2022

Fully quantum mechanical approaches to calculating protein–ligand free energies of binding have the potential to reduce empiricism and explicitly account for all physical interactions responsible for protein–ligand binding.
Kinetic and dynamic studies of the NH2+ + H2 reaction on a high-level ab initio potential energy surface
Authors: Zhu Yongfa , Li Rui , Song Hongwei
Published: October 2022

The dynamics and kinetics of the NH2+ + H2 reaction are investigated on a newly developed ab initio potential energy surface using the quasi-classical trajectory method.
Torsional disorder and planarization dynamics: 9,10-bis(phenylethynyl)anthracene as a case study
Authors: Fureraj Ina , Budkina Darya S. , Vauthey Eric
Published: October 2022

Torsional disorder of the title molecule is strongly reduced in the excited state. Planarization occurs predominantly via inertial motion, whereas it is a purely diffusive process in the ground state.
Remote C(sp3)–H heteroarylation of N-fluorocarboxamides with quinoxalin-2(1H)-ones under visible-light-induced photocatalyst-free conditions
Authors: Xuan Liangming , Du Ruyang , Lei Panpan , Zhao Wei , Tan Lixiang , Ni Chuanzhi , Wang Haifeng , Yan Qiongjiao , Wang Wei , Chen Fener
Published: October 2022

A photocatalyst-free visible-light-promoted remote C(sp3)–H heteroarylation of N-fluoroamides with quinoxalin-2(1H)-ones was developed. All types of δ-C(sp3)–H bonds in the N-fluoroamides could be site-specific activated through the 1,5-HAT process.
An aptamer-based SERS–LFA biosensor with multiple channels for the ultrasensitive simultaneous detection of serum VEGF and osteopontin in cervical cancer patients
Authors: Li Zhiyue , Gu Yingyan , Ge Shengjie , Mao Yu , Gu Yuexing , Cao Xiaowei , Lu Dan
Published: October 2022

In this work, a novel surface-enhanced Raman scattering and lateral flow assay (SERS–LFA) biosensor with multiple channels based on an aptamer has been proposed.
Computer-aided drug design applied to a series of pyridinyl imidazole derivatives targeting p38α MAP kinase: 2D-QSAR, docking, MD simulation, and ADMET investigations
Authors: El Aissouq Abdellah , Lachhab Aissam , El Rhabori Said , Bouachrine Mohammed , Ouammou Abdelkrim , Khalil Fouad
Published: October 2022

The p38 mitogen-activated protein kinase (MAPK) is a crucial target for chronic inflammation.
Cellulose-supported hyper-crosslinked l-tryptophan as an efficient chiral catalyst support for improved catalytic performance
Authors: Wang Yaodong , Wang Yudan , Liu Lijia , Sang Kexiao , Zhang Chunhong , Yang Guoxing
Published: October 2022

Catalyst supports were modified using a variety of matrices, and cellulose showed the best modification effect, with an enantioselectivity up to 99% in the asymmetric Henry reaction.
Cellulose nanocrystal reinforced conductive hydrogels with anti-freezing properties for strain sensors
Authors: Zheng Jiawen , Sun Yong , Yang Shuliang , Li Zheng , Tang Xing , Zeng Xianhai , Lin Lu
Published: October 2022

High strength hydrogels with frost resistance can be used as human body sensors in low temperature environment.
Hot off the Press
Authors: Hill Robert A. , Sutherland Andrew
Published: October 2022

A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as hyjapone A fromHypericum japonicum.
Aspartic acid based metal–organic frameworks with dual function of NADH peroxidase and glycerol dehydrogenase-mimicking activities
Authors: Liu Shuli , Wu Xiaoling , Xiong Jun , Yuan Xin , Zong Min-Hua , Lou Wen-Yong
Published: October 2022

CuAsp with a fiber-like structure exhibited both NADH peroxidase- and glycerol dehydrogenase (GlyDH)-mimetic activities.
Morphology optimization of side-chain copolymers yields a ternary memory device with high stability and reproducibility
Authors: Shen Junyu , Wang Guan , Xue Fei , Zhu Dingwei , Li Yang , Zhou Feng , Zhang Qijian
Published: October 2022

A novel polymer was designed through introducing appropriate spacer, tuning pendent ratios and applying random copolymerization to optimize the surface morphology, rendering a device with clear switching mechanism and high stability/reproducibility.
Valorization of camelina oil to biobased materials and biofuels for new industrial uses: a review
Authors: Arshad Muhammad , Mohanty Amar K. , Van Acker Rene , Riddle Rachel , Todd Jim , Khalil Hamdy , Misra Manjusri
Published: October 2022

This review gathers current research work, and strategies for valorization of an emerging non-food camelina oil seed crop into renewable polymers building blocks for industrial applications, current challenges, and future opportunities.
Wild jujube-based fluorescent carbon dots for highly sensitive determination of oxalic acid
Authors: Shi Huimin , Li Xue , Li Yingying , Feng Suling
Published: October 2022

Carbon dots synthesized from wild jujube and dl-tryptophan can serve as sensitive off–on fluorescent sensors for the detection of oxalic acid.
Surface modification of TiO2/ZnO nanoparticles by organic acids with enhanced methylene blue and rhodamine B dye adsorption properties
Authors: Andrade-Guel M. , Cabello-Alvarado C. , Bartolo-Pérez P. , Medellin-Banda D. I. , Ávila-Orta C. A. , Cruz-Ortiz B. , Espinosa-Muñoz A. , Cadenas Pliego G.
Published: October 2022

The possible chemical modification of TiO2/ZnO with lactic acid and oxalic acid.
Oxidative bridgehead functionalization of (4 + 3) cycloadducts obtained from oxidopyridinium ions
Authors: Sungnoi Wanna , Harmata Michael
Published: October 2022

Selected azabicyclo[4.3.1]deca-3,8-dienes react with NIS in HFIP to form bridgehead ethers via a net oxidative C–H activation.
[3+2] click chemistry approach to tetrazine containing polymers
Authors: Chavez David E. , Tappan Bryce C. , Kuehl Valerie A. , Schmalzer Andrew M. , Leonard Philip W. , Wu Ruilian , Imler Greg H. , Parrish Damon A.
Published: October 2022

We report a [3+2] cycloaddition using 3,6-bis-propargyloxy-1,2,4,5-tetrazine and azides to synthesize energetic polymers containing 1,2,4,5-tetrazine within the scaffold.
Single-factor analysis of Ni–B–AC-catalyzed β-pinene hydrogenation based on hierarchical analysis
Authors: Deng Qiao , Jiang Lihong , Yang Yu , Yu Yan
Published: October 2022

In the choice of catalysts for the hydrogenation of pinene, nickel-based catalysts show intriguing activity.
Cysteine–phenylalanine-derived self-assembled nanoparticles as glutathione-responsive drug-delivery systems in yeast
Authors: Chibh Sonika , Suyal Shradha , Aggarwal Nidhi , Bachhawat Anand Kumar , Panda Jiban Jyoti
Published: October 2022

Dipeptide-based redox-responsive NPs as prospective drug-delivery platforms for attaining enhanced antifungal drug delivery in yeast.
A capillary-driven LoC-SERS device integrated with catalytic hairpin assembly amplification technology for NSCLC-related biomarkers detection
Authors: Ge Shengjie , Wang Yujie , Li Zhiyue , Lu Bin , Zhu Jinhua , Lu Hongmei , Cao Xiaowei , Qian Yayun
Published: October 2022

A capillary-driven LoC-SERS device is fabricated for the ultrasensitive detection of NSCLC-related protein biomarkers with catalytic hairpin assembly as the signal amplification strategy.
The versatility of polymers in perovskite solar cells
Authors: Ghaderian Abolfazl , Heiran Roghayeh , Kazim Samrana , Ahmad Shahzada
Published: October 2022

Use of polymers as promising strategies to increase the reliability and boosting the PV performances of perovskite solar cells.
Donor–acceptor naphthalimides and peryleneimides for all-solution-processed thin film lasers
Authors: Donoso Beatriz , Bonal Víctor , Torres-Moya Iván , Boj Pedro G. , Quintana José A. , Villalvilla José M. , Herrera Jesús , Prieto Pilar , Díaz-García María A.
Published: October 2022

The potential of donor–acceptor naphthalimides and peryleneimides as laser dyes for all-solution processed thin film organic lasers is demonstrated through the observation of amplified spontaneous and distributed feedback laser fabrication.
Using Backward Design in Dysphagia Management: A Paradigm Shift Toward More Culturally Responsive Care
Authors: Ambrocio Kevin Renz , Shune Samantha E.
Published: October 2022

Purpose:

Marginalized communities have an increased predisposition to disease where dysphagia is often associated. While commonly used as paradigms in health care and dysphagia management, the biomedical model and forward design do not adequately support equitable, inclusive, and quality care for individuals of culturally and linguistically diverse (CLD) backgrounds. A more-narrow focus on curative and impairment-based management may actually be detrimental to patients' personal and cultural identities. Therefore, it is crucial to broaden the focus of service delivery to provide culturally responsive, patient-centered care. This tutorial describes the application of backward design to dysphagia management, with practical strategies and tools offered to increase the quality of care for persons of CLD backgrounds.

Conclusion:

Clinicians need to prioritize the individual cultural dynamics of each patient. Personalized ethnocentric care requires clinicians to become aware of their own worldviews and biases while understanding better their patients' identities. Clinicians should consider adopting a more holistic lens and beginning the dysphagia management process with the patient's end goal in mind. Through this critical first step, clinicians will be better equipped to inform appropriate assessment and intervention selections that leverage all aspects of the biopsychosocial framework, helping to reduce health disparities in CLD populations.
Gradual development of S-shaped gears
Authors: Hlebanja Gorazd
Published: October 2022

Search for an improved gear tooth flank shape arose from heavy industry problems rolling mills. Original involute gears suffered severe flank damages. So, better gear teeth flanks should improve contact circumstances, decrease the flank pressure, and enhance a lubrication film. This was achieved by a curved, pole symmetric path of contact by purely graphical methods. And the developed gears, proven in heavy industry applications, showed highly improved properties. Specimens of both gear geometries, which were made of tempered and nitrided alloy steel, were tested on an FZG testing machine, and results confirmed the theoretical foundations of S-gears. Then it was necessary to replace the graphical method by a numerical one and to define the tool. So, the rack profile was defined by a pole symmetric parabolic-type function, which in turn defined the path of contact and finally gears with an arbitrary number of teeth. Many applications were developed with S-gear shape, e.g., helical, crossed, and planetary gears, various worm drives, etc. S-gear concept was also used with polymer gears and high transmission ratio planetary gears. Lately, this concept was used to develop crossed helical gear drive with perpendicular shafts. Such drives are often used in centrifuge drives (e. g. Alfa-Laval) and this implementation with the module m = 5 mm uses a large driving gear with 60 teeth (with the left-handed helix angle of 30°) on the horizontal shaft and a smaller driven gear with 20 teeth (with the right-handed helix angle of 60°) on the vertical shaft.

This paper is a tribute to work of Professor Jože Hlebanja (1926-2022) whose research was dedicated to gears with improved properties, namely S-gears.
Analysis of nine-speed planetary change-gears through the torque method
Authors: Troha Sanjin , Karaivanov Dimitar , Vrcan Željko
Published: October 2022

An alternative method for kinematic and power analysis of compound gear train is presented, which uses the torques and lever analogy of a given gear train. The method combines the accuracy of the Willis analytical method with the clarity of the graphic method of Kutzbach. Unlike these methods, the torque method allows determining not only the gear ratio, but the magnitude and direction of power flows, and hence the determination of efficiency of a given compound planetary gear train. The application of the method is illustrated with example of novel arrangement of complex nine-speed change-gear. Structural, kinematic, and power (efficiency) analysis are made. A software for these analysis facilitation is developed. A numerical example is presented and discussed.
Improving load capacity parameters of worm gears
Authors: Mollova Gergana , Dobreva Antoaneta
Published: October 2022

Worm gear drives possess several advantages in comparison to other types of transmissions. Some of the most important advantages are: high gear ratio, compact design and vibration damping. Therefore, the author’s team focused within the framework of research presented on creating opportunities to improve another very important characteristic feature of worm gears: the load capacity. During the process of investigation, optimization procedures have been created aiming to improve the load capacity parameters of worm gear trains. Different functional parameters and certain geometry parameters have been taken into account such as rotational frequency of the worm shaft, gear ratio, module and geometry dimensions of the worm gear set. The research methodology applied includes several stages. The research results obtained are presented and discussed. Conclusions and recommendations are made.
Five New Diarylbutyrolactones and Sesquilignans from Saussurea medusa and Their Inhibitory Effects on LPS-induced NO Production
Authors: Cao Jing-Ya , Wang Zhi-Yao , Stewart Alan J. , Dong Qi , Zhao Ye , Mei Li-Juan , Tao Yan-Duo , Yu Rui-Tao
Published: October 2022

Five new diarylbutyrolactones and sesquilignans (1a/1b – 4), including one pair of enantiomers (1a/1b), together with 10 known analogues (5 – 14), were
isolated from the whole plants of Saussurea medusa. Compound 1 was found to possess an unusual 7,8′-diarylbutyrolactone lignan structure. Separation by chiral HPLC analysis led
to the isolation of one pair of enantiomers, (+)-1a and (−)-1b. The structures of the new compounds were elucidated by extensive spectroscopic data. All compounds, except
compounds 5, 7 and 9, were isolated from S. medusa for the first time. Moreover, compounds 1 –  4, 8 and 10 – 14 had never been obtained from
the genus Saussurea previously. Compounds (+)- 1a, 2, 5, 7, and 9 – 11 were found to inhibit the lipopolysaccharide (LPS)-induced release of NO by RAW264.7 cells
with IC50 values ranging from 10.1 ± 1.8 to 41.7 ± 2.1 µM. Molecular docking and iNOS expression experiments were performed to examine the interactions between the active
compounds and the iNOS enzyme.
Quantum effects in the low-temperature thermal expansion of fullerite C60 doped with a 4He impurity
Authors: Vinnikov N. A. , Dolbin A. V. , Basnukaeva R. M. , Gavrilko V. G. , Eselson V. B. , Buravtseva L. M.
Published: October 2022

The thermal expansion of fullerite C60 doped with a 4He impurity at T ∼2 K has been investigated by the method of low temperature precision dilatometry in the interval T = 2.2−24 K. The character and the derived values of the thermal expansion coefficients were strongly dependent on the concentration of the 4He impurity in fullerite. In the interval T = 2.2−5 K the thermal expansion of the 4Hex−C60 system is negative, which is attributed to the tunnel movement of the 4He atoms in the cavity system of the C60 crystal lattice and at the crystallite surface. The contribution of this process to the thermal expansion decreases as the impurity (4He) concentration increases and the probability of 4He tunneling between the crystal lattice cavities and the impurity-free areas of the grain surface diminishes. In the temperature interval T = 4.5−24 K the thermal expansion of the 4Hex−C60 system is influenced predominantly by the mutual transformations of different orientation glass modifications of fullerite. Owing to their tunnel character the transformations make a negative contribution to the process of thermal expansion entailing a hysteresis and other anomalies observed in this temperature interval. The intensity of the processes provoked by the tunneling-encouraged phase transformations of the orientational glasses of C60 increases with the 4He concentration in fullerite.
The resonant condition of transmission in the graphene-based double-barrier structures
Authors: Sakhnyuk V. E. , Shutovskyi A. M. , Fedosov S. A. , Zamuruyeva O. V.
Published: October 2022

The Klein tunneling of Dirac fermions through a symmetric double potential barrier of a rectangular shape in graphene has been investigated. A new analytical formula for a dependence of the transmission coefficient of electrons on the angle of incidence on the barrier was obtained, on the basis of which the conditions for the angles of incidence with 100% transmission were found. In the case of a double potential barrier we have three conditions for resonance tunneling, two of which are similar to those conditions for one barrier, and the third one reflects the presence of the second barrier.
Magnetization dynamics and spin pumping in Heusler compound Co2FeSi interfaced with MoS2
Authors: Sharma Vipul , Sharma Vinay , Ghosh Ram Krishna , Kuanr Bijoy Kumar
Published: October 2022

We present a detailed investigation of spin pumping from full Heusler compound Co2FeSi (CFS) to single-layer two-dimensional (2D) transition metal dichalcogenide (TMD) MoS2 (molybdenum disulfide) excited by ferromagnetic resonance. Microwave-induced spin pumping has been identified by a significant enhancement of Gilbert damping in Si/SiO2/MoS2/CFS heterostructures as compared to bare Si/SiO2/CFS samples. The CFS thickness dependent spin mixing conductance indicates an efficient spin transparent interface of MoS2/CFS. In addition, the spin-to-charge conversion process has been quantified using inverse spin Hall effect (ISHE) measurements. In ISHE measurements, a highly symmetric Lorentzian DC voltage signal in Si/SiO2/MoS2/CFS heterostructures is observed in comparison with a highly asymmetric signal in bare Si/SiO2/CFS samples, establishing a clear sign of FMR induced spin pumping. The results in this work are expected to aid in the understanding of the spin angular momentum transfer phenomenon at the interface of the 2D TMDs/ferromagnet bilayer system.