bluuebunny/crossref_metadata_2025 huggingface dataset:
A sex-specific thermogenic neurocircuit induced by predator smell recruiting cholecystokinin neurons in the dorsomedial hypothalamus
Authors: Jovanovic Predrag , Pool Allan-Hermann , Morones Nancy , Wang Yidan , Novinbakht Edward , Keshishian Nareg , Jang Kaitlyn , Oka Yuki , Riera Celine E.
Published: August 2023

Olfactory cues are vital for prey animals like rodents to perceive and evade predators. Stress-induced hyperthermia, via brown adipose tissue (BAT) thermogenesis, boosts physical performance and facilitates escape. However, many aspects of this response, including thermogenic control and sex-specific effects, remain enigmatic. Our study unveils that the predator odor trimethylthiazoline (TMT) elicits BAT thermogenesis, suppresses feeding, and drives glucocorticoid release in female mice. Chemogenetic stimulation of olfactory bulb (OB) mitral cells recapitulates the thermogenic output of this response and associated stress hormone corticosterone release in female mice. Neuronal projections from OB to medial amygdala (MeA) and dorsomedial hypothalamus (DMH) exhibit female-specific cFos activity toward odors. Cell sorting and single-cell RNA-sequencing of DMH identify cholecystokinin (CCK)-expressing neurons as recipients of predator odor cues. Chemogenetic manipulation and neuronal silencing of DMHCCK neurons further implicate these neurons in the propagation of predator odor-associated thermogenesis and food intake suppression, highlighting their role in female stress-induced hyperthermia.
Spatial transcriptomics reveal markers of histopathological changes in Duchenne muscular dystrophy mouse models
Authors: Heezen L.G.M. , Abdelaal T. , van Putten M. , Aartsma-Rus A. , Mahfouz A. , Spitali P.
Published: August 2023

Duchenne muscular dystrophy is caused by mutations in the DMD gene, leading to lack of dystrophin. Chronic muscle damage eventually leads to histological alterations in skeletal muscles. The identification of genes and cell types driving tissue remodeling is a key step to developing effective therapies. Here we use spatial transcriptomics in two Duchenne muscular dystrophy mouse models differing in disease severity to identify gene expression signatures underlying skeletal muscle pathology and to directly link gene expression to muscle histology. We perform deconvolution analysis to identify cell types contributing to histological alterations. We show increased expression of specific genes in areas of muscle regeneration (Myl4, Sparc, Hspg2), fibrosis (Vim, Fn1, Thbs4) and calcification (Bgn, Ctsk, Spp1). These findings are confirmed by smFISH. Finally, we use differentiation dynamic analysis in the D2-mdx muscle to identify muscle fibers in the present state that are predicted to become affected in the future state.
Optical blood-brain-tumor barrier modulation expands therapeutic options for glioblastoma treatment
Authors: Cai Qi , Li Xiaoqing , Xiong Hejian , Fan Hanwen , Gao Xiaofei , Vemireddy Vamsidhara , Margolis Ryan , Li Junjie , Ge Xiaoqian , Giannotta Monica , Hoyt Kenneth , Maher Elizabeth , Bachoo Robert , Qin Zhenpeng
Published: August 2023

The treatment of glioblastoma has limited clinical progress over the past decade, partly due to the lack of effective drug delivery strategies across the blood-brain-tumor barrier. Moreover, discrepancies between preclinical and clinical outcomes demand a reliable translational platform that can precisely recapitulate the characteristics of human glioblastoma. Here we analyze the intratumoral blood-brain-tumor barrier heterogeneity in human glioblastoma and characterize two genetically engineered models in female mice that recapitulate two important glioma phenotypes, including the diffusely infiltrative tumor margin and angiogenic core. We show that pulsed laser excitation of vascular-targeted gold nanoparticles non-invasively and reversibly modulates the blood-brain-tumor barrier permeability (optoBBTB) and enhances the delivery of paclitaxel in these two models. The treatment reduces the tumor volume by 6 and 2.4-fold and prolongs the survival by 50% and 33%, respectively. Since paclitaxel does not penetrate the blood-brain-tumor barrier and is abandoned for glioblastoma treatment following its failure in early-phase clinical trials, our results raise the possibility of reevaluating a number of potent anticancer drugs by combining them with strategies to increase blood-brain-tumor barrier permeability. Our study reveals that optoBBTB significantly improves therapeutic delivery and has the potential to facilitate future drug evaluation for cancers in the central nervous system.
Improved figure of merit (z) at low temperatures for superior thermoelectric cooling in Mg3(Bi,Sb)2
Authors: Chen Nan , Zhu Hangtian , Li Guodong , Fan Zhen , Zhang Xiaofan , Yang Jiawei , Lu Tianbo , Liu Qiulin , Wu Xiaowei , Yao Yuan , Shi Youguo , Zhao Huaizhou
Published: August 2023

The low-temperature thermoelectric performance of Bi-rich n-type Mg3(Bi,Sb)2 was limited by the electron transport scattering at grain boundaries, while removing grain boundaries and bulk crystal growth of Mg-based Zintl phases are challenging due to the volatilities of elemental reactants and their severe corrosions to crucibles at elevated temperatures. Herein, for the first time, we reported a facile growth of coarse-grained Mg3Bi2-xSbx crystals with an average grain size of ~800 μm, leading to a high carrier mobility of 210 cm2 · V−1 · s−1 and a high z of 2.9 × 10−3 K−1 at 300 K. A $$\Delta$$
Δ
T of 68 K at Th of 300 K, and a power generation efficiency of 5.8% below 450 K have been demonstrated for Mg3Bi1.5Sb0.5- and Mg3Bi1.25Sb0.75-based thermoelectric modules, respectively, which represent the cutting-edge advances in the near-room temperature thermoelectrics. In addition, the developed grain growth approach can be potentially extended to broad Zintl phases and other Mg-based alloys and compounds.
Screening of immunogenic proteins and evaluation of vaccine candidates against Mycoplasma synoviae
Authors: Zhang Guihua , Han Lejiabao , Li Zewei , Chen Yifei , Li Quan , Wang Shifeng , Shi Huoying
Published: August 2023

Mycoplasma synoviae (M. synoviae) is a serious avian pathogen that causes significant economic losses to chicken and turkey producers worldwide. The currently available live attenuated and inactivated vaccines provide limited protection. The objective of this study was to identify potential subunit vaccine candidates using immunoproteomics and reverse vaccinology analyses and to evaluate their preliminary protection. Twenty-four candidate antigens were identified, and five of them, namely RS01790 (a putative sugar ABC transporter lipoprotein), BMP (a substrate-binding protein of the BMP family ABC transporter), GrpE (a nucleotide exchange factor), RS00900 (a putative nuclease), and RS00275 (an uncharacterized protein), were selected to evaluate their immunogenicity and preliminary protection. The results showed that all five antigens had good immunogenicity, and they were localized on the M. synoviae cell membrane. The antigens induced specific humoral and cellular immune responses, and the vaccinated chickens exhibited significantly greater body weight gain and lower air sac lesion scores and tracheal mucosal thicknesses. Additionally, the vaccinated chickens had lower M. synoviae loads in throat swabs than non-vaccinated chickens. The protective effect of the RS01790, BMP, GrpE, and RS00900 vaccines was better than that of the RS00275 vaccine. In conclusion, our study demonstrates the potential of subunit vaccines as a new approach to developing M. synoviae vaccines, providing new ideas for controlling the spread of M. synoviae worldwide.
Ranking routes in semiconductor wafer fabs
Authors: Gupta Shreya , Hasenbein John J. , Kim Byeongdong
Published: August 2023

We develop a method to estimate the quality of processing routes in a wafer fabrication process. Ranking such routes can be useful for identifying the “best” and “worst” routes when making adjustments to recipes. Route categorization is also useful in developing efficient scheduling algorithms. In particular, we propose a method for ranking routes based on count-based metrics such as the number of defects on a wafer. We start with a statistical model to produce a “local” ranking of a tool and then build a “global” ranking via a heuristic procedure. Creating a fully statistical procedure for ranking routes in semiconductor fabrication plants is virtually impossible, given the number of possible routes and the limited data available. Nonetheless, our discussions with working engineers indicate that even approximate rankings are useful for making better operational decisions.
Computations of volumes in five candidates elections
Authors: Bruns Winfried , Ichim Bogdan
Published: August 2023

We describe several analytical (i.e., precise) results obtained in five candidates social choice elections under the assumption of the Impartial Anonymous Culture. These include the Condorcet and Borda paradoxes, as well as the Condorcet efficiency of plurality, negative plurality and Borda voting, including their runoff versions. The computations are done by Normaliz. It finds precise probabilities as volumes of polytopes in dimension 119, using its recent implementation of the Lawrence algorithm.
Pathological analysis and antimicrobial susceptibility of Chryseobacterium balustinum RTFCP 298 isolated from diseased rainbow trout, Oncorhynchus mykiss
Authors: Mallik Sumanta Kumar , Pathak Richa , Shahi Neetu , Kala Krishna , Chandra Suresh , Das Partha , Singh Bhupendra , Singh Mohan , Giri Abhay Kumar , Tandel Ritesh Shantilal , Sarma Debajit , Pandey Pramod Kumar
Published: August 2023

In this study, six isolates of Chryseobacterium balustinum were characterized from diseased rainbow trout fingerlings. The virulence characteristics, pathogenicity, and antimicrobial susceptibility pattern of these isolates were investigated. The bacterium showed positive results for catalase, cytochrome oxidase, and aesculin hydrolysis, while negative results were obtained for DNase, gelatinase, methyl red, Voges-Proskauer's reaction, Simon citrate, Hydrogen sulphide, and starch hydrolysis. Amino acid metabolism analysis revealed the inability to metabolize arginine, lysine, and ornithine decarboxylase. Molecular characterization (16S rRNA) and phylogenetic analysis revealed the test isolates as C. balustinum, closely related to strain WLT (99.85% similarity) and C. balustinum P-27 (99.77%). Virulence assay indicated haemolytic activity and biofilm formation by the test bacterium. The challenge test confirmed moderate pathogenicity in rainbow trout and established Koch's postulates. The clinical manifestations of infection included fin erosion, eye and body surface haemorrhage, exophthalmia, and organ liquefaction. The minimum inhibitory concentrations of various antimicrobials ranged from 1 to > 256 µg mL−1. The novel synthetic antimicrobial peptides exhibited MICs of 8 to > 256 µg mL−1, suggesting a potential control method. These findings suggest that C. balustinum is an opportunistic pathogen with moderate pathogenicity in rainbow trout. Further research on the host–pathogen relationship is necessary to understand virulence characteristics and pathogenicity in aquaculture.
Propionic acid induces alterations in mitochondrial morphology and dynamics in SH-SY5Y cells
Authors: Buchanan Erin , Mahony Caitlyn , Bam Sophia , Jaffer Mohamed , Macleod Sarah , Mangali Asandile , van der Watt Mignon , de Wet Sholto , Theart Rensu , Jacobs Caron , Loos Ben , O’Ryan Colleen
Published: August 2023

Propionic acid (PPA) is used to study the role of mitochondrial dysfunction in neurodevelopmental conditions like autism spectrum disorders. PPA is known to disrupt mitochondrial biogenesis, metabolism, and turnover. However, the effect of PPA on mitochondrial dynamics, fission, and fusion remains challenging to study due to the complex temporal nature of these mechanisms. Here, we use complementary quantitative visualization techniques to examine how PPA influences mitochondrial ultrastructure, morphology, and dynamics in neuronal-like SH-SY5Y cells. PPA (5 mM) induced a significant decrease in mitochondrial area (p < 0.01), Feret's diameter and perimeter (p < 0.05), and in area2 (p < 0.01). Mitochondrial event localiser analysis demonstrated a significant increase in fission and fusion events (p < 0.05) that preserved mitochondrial network integrity under stress. Moreover, mRNA expression of cMYC (p < 0.0001), NRF1 (p < 0.01), TFAM (p < 0.05), STOML2 (p < 0.0001), and OPA1 (p < 0.01) was significantly decreased. This illustrates a remodeling of mitochondrial morphology, biogenesis, and dynamics to preserve function under stress. Our data provide new insights into the influence of PPA on mitochondrial dynamics and highlight the utility of visualization techniques to study the complex regulatory mechanisms involved in the mitochondrial stress response.
Reversible intracellular acidification and depletion of NTPs provide a potential physiological origin for centuries of dormancy in an Antarctic freshwater copepod
Authors: Reed Katherine A. , Williamson R. Thomas , Lee Sung Gu , Lee Jun Hyuck , Covi Joseph A.
Published: August 2023

A great diversity of crustacean zooplankton found in inland and coastal waters produce embryos that settle into bottom sediments to form an egg bank. Embryos from these banks can remain dormant for centuries, creating a reservoir of genetic diversity. A large body of literature describes the ecological and evolutionary importance of zooplankton egg banks. However, literature on the physiological traits behind dormancy in crustacean zooplankton are limited. Most data on the physiology of dormancy comes from research on one species of anostracan, the brine shrimp, Artemia franciscana. Anoxia-induced dormancy in this species is facilitated by a profound and reversible acidification of the intracellular space. This acidification is accompanied by a reversible depletion of adenosine triphosphate (ATP). The present study demonstrates that acidification of the intracellular space also occurs in concert with a depletion of nucleoside triphosphates (NTPs) in the Antarctic copepod, Boeckella poppei. Like A. franciscana, the depletion of NTPs and acidification are rapidly reversed during aerobic recovery in B. poppei. These data provide the first comparative evidence that extreme dormancy under anoxia in crustacean zooplankton is associated with intracellular acidification and an ability to recover from the depletion of ATP.
Determining regional brain growth in premature and mature infants in relation to age at MRI using deep neural networks
Authors: Beizaee Farzad , Bona Michele , Desrosiers Christian , Dolz Jose , Lodygensky Gregory
Published: August 2023

Neonatal MRIs are used increasingly in preterm infants. However, it is not always feasible to analyze this data. Having a tool that assesses brain maturation during this period of extraordinary changes would be immensely helpful. Approaches based on deep learning approaches could solve this task since, once properly trained and validated, they can be used in practically any system and provide holistic quantitative information in a matter of minutes. However, one major deterrent for radiologists is that these tools are not easily interpretable. Indeed, it is important that structures driving the results be detailed and survive comparison to the available literature. To solve these challenges, we propose an interpretable pipeline based on deep learning to predict postmenstrual age at scan, a key measure for assessing neonatal brain development. For this purpose, we train a state-of-the-art deep neural network to segment the brain into 87 different regions using normal preterm and term infants from the dHCP study. We then extract informative features for brain age estimation using the segmented MRIs and predict the brain age at scan with a regression model. The proposed framework achieves a mean absolute error of 0.46 weeks to predict postmenstrual age at scan. While our model is based solely on structural T2-weighted images, the results are superior to recent, arguably more complex approaches. Furthermore, based on the extracted knowledge from the trained models, we found that frontal and parietal lobes are among the most important structures for neonatal brain age estimation.
Global dose distributions of neutrons and gamma-rays on the Moon
Authors: Naito Masayuki , Kusano Hiroki , Kodaira Satoshi
Published: August 2023

Dose assessment on the lunar surface is important for future long-term crewed activity. In addition to the major radiation of energetic charged particles from galactic cosmic rays (GCRs), neutrons and gamma-rays are generated by nuclear interactions of space radiation with the Moon’s surface materials, as well as natural radioactive nuclides. We obtained neutron and gamma-ray ambient dose distributions on the Moon using Geant4 Monte Carlo simulations combined with the Kaguya gamma-ray spectrometer measurement dataset from February 10 to May 28, 2009. The neutron and gamma-ray dose rates varied in the ranges of 58.7–71.5 mSv/year and 3.33–3.76 mSv/year, respectively, depending on the lunar geological features. The lunar neutron dose was high in the basalt-rich mare, where the iron- and titanium-rich regions are present, due to their large average atomic mass. As expected, the lunar gamma-ray dose map was similar to the distribution of natural radioactive elements (238U, 232Th, and 40K), although the GCR-induced secondary gamma-ray dose was significant at ~ 3.4 mSv/year. The lunar secondary dose contribution resulted in an additional dose of 12–15% to the primary GCR particles. Global dose distributions on the lunar surface will help identify better locations for long-term stays and suggest radiation protection strategies for future crewed missions.
A multiband SSr diode RF rectifier with an improved frequency ratio for biomedical wireless applications
Authors: Muhammad Surajo , Waly Mohamed Ibrahim , AlJarallah Nasser Ali , Ghayoula Ridha , Negm Ahmed S. , Smida Amor , Iqbal Amjad , Tiang Jun Jiat , Roslee Mardeni
Published: August 2023

This paper described a four-band implantable RF rectifier with simplified circuit complexity. Each RF-rectifier cell is sequentially matched to the four operational frequencies to accomplish the proposed design. The proposed RF rectifier can harvest RF signals at 1.830, 2.100, and white space Wi-Fi bands between 2.38 to 2.68 GHz, respectively. At 2.100 GHz, the proposed RF harvester achieved a maximum (radio frequency direct current) RF-to-DC power conversion efficiency (PCE) of 73.00% and an output DC voltage $$V_{DC}$$

V

DC

of 1.61 V for an RF power of 2 dBm. The outdoor performance of the rectenna shows a $$V_{DC}$$

V

DC

of 0.440 V and drives a low-power bq25504-674 evaluation module (EVM) at 1.362 V. The dimension of the RF-rectifier on the FR-4 PCB board is 0.27$$\lambda _{g}$$

λ
g

$$\times$$
×
0.29$$\lambda _{g}$$

λ
g

. The RF-rectifier demonstrates the capacity to effectively utilize the frequency domain by employing multi-band operation and exhibiting a good impedance bandwidth through a sequential matching technique. Thus, by effectively controlling the rectenna’s ambient performance, the proposed design holds the potential for powering a range of low-power biomedical implantable devices. (BIDs).
ENSO skewness hysteresis and associated changes in strong El Niño under a CO2 removal scenario
Authors: Liu Chao , An Soon-Il , Jin Fei-Fei , Stuecker Malte F. , Zhang Wenjun , Kug Jong-Seong , Yuan Xinyi , Shin Jongsoo , Xue Aoyun , Geng Xin , Kim Soong-Ki
Published: August 2023

El Niño-Southern Oscillation (ENSO) sea surface temperature (SST) anomaly skewness encapsulates the nonlinear processes of strong ENSO events and affects future climate projections. Yet, its response to CO2 forcing remains not well understood. Here, we find ENSO skewness hysteresis in a large ensemble CO2 removal simulation. The positive SST skewness in the central-to-eastern tropical Pacific gradually weakens (most pronounced near the dateline) in response to increasing CO2, but weakens even further once CO2 is ramped down. Further analyses reveal that hysteresis of the Intertropical Convergence Zone migration leads to more active and farther eastward-located strong eastern Pacific El Niño events, thus decreasing central Pacific ENSO skewness by reducing the amplitude of the central Pacific positive SST anomalies and increasing the scaling effect of the eastern Pacific skewness denominator, i.e., ENSO intensity, respectively. The reduction of eastern Pacific El Niño maximum intensity, which is constrained by the SST zonal gradient of the projected background El Niño-like warming pattern, also contributes to a reduction of eastern Pacific SST skewness around the CO2 peak phase. This study highlights the divergent responses of different strong El Niño regimes in response to climate change.
Online repositories of photographs and videos provide insights into the evolution of skilled hindlimb movements in birds
Authors: Gutiérrez-Ibáñez Cristián , Amaral-Peçanha Clara , Iwaniuk Andrew N. , Wylie Douglas R. , Baron Jerome
Published: August 2023

The ability to manipulate objects with limbs has evolved repeatedly among land tetrapods. Several selective forces have been proposed to explain the emergence of forelimb manipulation, however, work has been largely restricted to mammals, which prevents the testing of evolutionary hypotheses in a comprehensive evolutionary framework. In birds, forelimbs have gained the exclusive function of flight, with grasping transferred predominantly to the beak. In some birds, the feet are also used in manipulative tasks and appear to share some features with manual grasping and prehension in mammals, but this has not been systematically investigated. Here we use large online repositories of photographs and videos to quantify foot manipulative skills across a large sample of bird species (>1000 species). Our results show that a complex interaction between niche, diet and phylogeny drive the evolution of manipulative skills with the feet in birds. Furthermore, we provide strong support for the proposition that an arboreal niche is a key element in the evolution of manipulation in land vertebrates. Our systematic comparison of foot use in birds provides a solid base for understanding morphological and neural adaptations for foot use in birds, and for studying the convergent evolution of manipulative skills in birds and mammals.
Neural network interatomic potential for laser-excited materials
Authors: Plettenberg Pascal , Bauerhenne Bernd , Garcia Martin E.
Published: August 2023

Data-driven interatomic potentials based on machine-learning approaches have been increasingly used to perform large-scale, first-principles quality simulations of materials in the electronic ground state. However, they are not able to describe situations in which the electrons are excited, like in the case of material processing by means of femtosecond laser irradiation or ion bombardment. In this work, we propose a neural network interatomic potential with an explicit dependency on the electronic temperature. Taking silicon as an example, we demonstrate its capability of reproducing important physical properties with first-principles accuracy and use it to simulate laser-induced surface modifications on a thin film at time and length scales that are impossible to reach with first-principles approaches like density functional theory. The method is general and can be applied not only to other laser-excited materials but also to condensed and liquid matter under non-equilibrium situations in which electrons and ions exhibit different temperatures.
Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach
Authors: Rodriguez Alejandro , Lin Changpeng , Shen Chen , Yuan Kunpeng , Al-Fahdi Mohammed , Zhang Xiaoliang , Zhang Hongbin , Hu Ming
Published: August 2023

Although first principles based anharmonic lattice dynamics is one of the most common methods to obtain phonon properties, such method is impractical for high-throughput search of target thermal materials. We develop an elemental spatial density neural network force field as a bottom-up approach to accurately predict atomic forces of ~80,000 cubic crystals spanning 63 elements. The primary advantage of our indirect machine learning model is the accessibility of phonon transport physics at the same level as first principles, allowing simultaneous prediction of comprehensive phonon properties from a single model. Training on 3182 first principles data and screening 77,091 unexplored structures, we identify 13,461 dynamically stable cubic structures with ultralow lattice thermal conductivity below 1 Wm−1K−1, among which 36 structures are validated by first principles calculations. We propose mean square displacement and bonding-antibonding as two low-cost descriptors to ease the demand of expensive first principles calculations for fast screening ultralow thermal conductivity. Our model also quantitatively reveals the correlation between off-diagonal coherence and diagonal populations and identifies the distinct crossover from particle-like to wave-like heat conduction. Our algorithm is promising for accelerating discovery of novel phononic crystals for emerging applications, such as thermoelectrics, superconductivity, and topological phonons for quantum information technology.
Social innovation supports inclusive and accelerated energy transitions with appropriate governance
Authors: Sovacool Benjamin K. , Brugger Heike , Brunzema Iska , Dańkowska Alicja , Wemyss Devon , Vernay Anne-Lorène , Betz Regina , Avelino Flor , de Geus Tessa , Dembek Agata , Duetschke Elisabeth , Hielscher Sabine , Iskandarova Marfuga , Müller Leticia , Musiolik Jörg , Ranville Adélie , Schleich Joachim , Stasik Agata , Strumińska-Kutra Marta , Winzer Christian , Wittmayer Julia , Rogge Karoline S.
Published: August 2023

Accelerating energy transitions that are both sustainable and just remains an important challenge, and social innovation can have a key role in this transition. Here, we examine the diversity and potential of social innovation in energy systems transformation, synthesizing original mixed methods data from expert interviews, document analysis, social innovation experiments, a representative survey, and an expert survey. Based on a thematic analysis of these data, we advance four key findings: (1) the diversity of social innovation in energy is best understood when recognizing core social practices (thinking, doing, and organizing) and accounting for changes in social relations (cooperation, exchange, competition, and conflict); (2) governance, policy networks, and national context strongly shape social innovation dynamics; (3) processes of social innovation are implicated by multidimensional power relations that can result in transformative changes; and (4) social innovation in energy generally has strong social acceptance among citizens, benefits local communities and is legitimized in key community and city organizations. We discuss an agenda for 9 future research directions on social innovation in energy, and conclude with insights related to national context, governance, and acceleration.
An ESIPT solvatochromic fluorescent and colorimetric probe for sensitive and selective detection of copper ions in environmental samples and cell lines
Authors: Imran Kondakamarla , Pandey Dheeraj , Kaur Jasleen , Naqvi Saba , Sharma Abha
Published: August 2023

The sensing of metal ions in environmental and biological samples is needed to be developed by using convenient methods which could be achieved by easy to use quinoline based fluorescent sensor.
A novel design of DNA duplex containing programmable sensing sites for nanopore-based length-resolution reading and applications for Pb2+ and cfDNA analysis
Authors: Wang Jiahai , Gui Cenlin , Zhu Jianji , Zhu Baian , Zhu Zhuobin , Jiang Xiwen , Chen Daqi
Published: August 2023

A novel design of dsDNA block contained a programmable sensing site inside is proposed, which can be programmed with different sequences to respond to multiple target molecules (e.g. Pb2+ and cfDNA) by being cleaved into two smaller DNA blocks.
Diverging conformations guide dipeptide self-assembly into crystals or hydrogels
Authors: Monti M. , Scarel E. , Hassanali A. , Stener M. , Marchesan S.
Published: August 2023

Conformers in solution guide self-assembly of dipeptides in solid state. Folded conformers drive crystallisation, while extended ones drive gelation. Both conformers in solution are found for peptides, whose gels over time evolve towards crystals.
Enhanced Li-ion conductivity in LiBH4–ZrO2 nanocomposites and nanoscale Li imaging by energy-filtered transmission electron microscopy
Authors: Nakagawa Yuki , Sendo Tsubasa , Shibayama Tamaki
Published: August 2023

The nanostructure of LiBH4–ZrO2 composites has been studied by the complementary analysis of Li-ion dynamics, chemical bonding states, and distribution on the nanoscale.
Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactams
Authors: Luo Yong-an , Zhao Zhao , Chen Ting , Li Yanguo , Zhao Yufen , Stephan Douglas W. , Wu Yile
Published: August 2023

The stannyl phosphaketene (CH{(CMe)(2,6-iPr2C6H3N)}2)SnPCO 1 acts as a synthon for phosphorus analogues of β-lactams in the presence of E(C6F5)3 (E = B or Al).
Near-infrared light-inducible Z-scheme overall water-splitting photocatalyst without an electron mediator
Authors: Irie Hiroshi , Yoda Masaomi , Miyashita Hiroshi , Hanada Ryo , Takashima Toshihiro , Kuroiwa Haruna
Published: August 2023

We have prepared a solid-state heterojunction photocatalyst, which can split pure water under irradiation with near-infrared light at wavelengths of up to 910 nm.
Synergistic phototherapy of NIR wavelength xanthene-quinoline salt-based heavy-atom-free photosensitizers for tumor therapy
Authors: He Long , He Lin-Hui , Lai Huan-Hua , Xu Shuai , Wang Jiao-Liang , Xu Jun-Chao , Shi Ling , Yuan Lin
Published: August 2023

We propose a practical strategy to design a series of NIR wavelength xanthene-quinoline salt-based heavy-atom-free synergistic photosensitizers by simply replacing the indole salt of xanthene Changsha with quinoline salt.
Cooperative bond activations by a tucked-in iron complex
Authors: Zurakowski Joseph A. , Drover Marcus W.
Published: August 2023

Herein, we report the first example of a ‘tucked-in’ iron diphosphine complex, formed through deprotonation of a Cp*–(CH̲3) (Cp* = C5Me5−) group by n-butyllithium.
Nucleus-selective self-augmenting cascade nanoassemblies for targeted synergistic photo-chemo therapy of tumors
Authors: Yang Lan , Ma Huijie , Liu Ye , Cao Rumeng , Chen Shaofeng , Wang Jiajia , Xiang Ling , Zhang Jiumeng , Feng Xuli , Wang Chenhui
Published: August 2023

The HPC-CAT/CL-Ap nanocomposite entered into tumor cell by endocytosis and quickly accumulate in the nucleus, thereby significantly inhibiting tumor growth and lung metastasis by self-augmenting cascade photo-chemo therapy.
Inverse CO2/C2H2 separation assisted by coordinated water in a dysprosium(iii) metal–organic framework
Authors: Ling Bo-Kai , Zeng Min , Zhang Tao , Cao Jian-Wei , Yang Rong , Cheng Lu , Zhang Chi-Yu , Wang Yu , Chen Kai-Jie
Published: August 2023

Inverse CO2/C2H2 separation was achieved by the assistance of coordinated water in the pore channel of a dysprosium(iii) metal–organic framework.
Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction
Authors: Goswami Anindita , Dutta Prantik , Biradha Kumar
Published: August 2023

Two robust metal–organic Frameworks (MOFs) with distinct and diverse network topologies containing open metal sites are successfully employed as heterogeneous catalysts for the Knoevenagel condensation and the Chan–Lam cross coupling reaction.
Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes
Authors: Dogaru Andreea , Apostol Adrian A. , Maxim Catalin , Raduca Mihai , Novikov Alexander S. , Nicolescu Alina , Deleanu Calin , Nica Simona , Andruh Marius
Published: August 2023

Binary halogen-bonded co-crystals with interesting supramolecular architectures are formed using two types of azulenyl compounds as halogen-bond acceptors and perfluorinated di- and triiodobenzenes as donors.
Dissolution mechanism of Fe3O4 scale by 1-hydroxyethane-1,1-diphosphonic acid: an ab initio molecular metadynamics study
Authors: Zhao Xiaoyang , Jin Guo , Guo Ding , Xiao Xin , Nan Junmin , Wu Chen
Published: August 2023

Dissolution of Fe3O4 scale by HEDP is a chemical reaction accompanied by proton transport, water adsorption and dissociation, bond breakage, and Fe–HEDP complex formation and migration.
The effects of defects on the transport mechanisms of lithium ions in organic ionic plastic crystals
Authors: Park Hyungshick , Park Chung Bin , Sung Bong June
Published: August 2023

Defects such as grain boundaries alter the structure of ions and cause the non-Gaussian heterogenous dynamics of ions in OIPCs.
A multi-factor adjustable PtSe2/GaN van der Waals heterostructure with enhanced photocatalytic performance
Authors: Zhang Qihao , Zhu Hua , Yang Xiaodong , Chen Liang , Shen Yang
Published: August 2023

The carrier mobility, solar-to-hydrogen efficiency and multi-factor (polarity, thickness and strain) tuned electronic and optical properties (band structures, absorption spectra and band edge positions) of PtSe2/GaN heterostructures are studied.
Proximity of superconducting LaCoSi to a ferromagnetic quantum critical point
Authors: Himanshu  , Pulikkotil J. J.
Published: August 2023

From first principles calculations, it is predicted that superconductivity in LaCoSi lies close to a ferromagnetic quantum critical point.
Dynamics of polymer chains confined to a periodic cylinder: molecular dynamics simulation vs. Lifson–Jackson formula
Authors: Wu Jiaxin , Yang Zhiyong , Cai Xiaoou , Zhang Linxi
Published: August 2023

The diffusion coefficient D of a polymer chain confined to a periodic cylinder has oscillation relationship with the ratio of (〈R2〉)1/2/L for different chain lengths N and different periodicities L.
Pressure induced weakness of electrostatic interaction and solid decomposition in Cs−I compounds
Authors: Geng Yanlei , Li Jianfu , Zhang Zhaobin , Lv Yang , Xu Zhenzhen , Liu Yong , Yuan Jianan , Wang Qinglin , Wang Xiaoli
Published: August 2023

We have scrutinized the high-pressure decomposition of Cs−I compounds, considering both enthalpy of formation and interatomic interactions. Our findings offer valuable insights into alkali metal halide behavior amidst extreme conditions.
A morphological study of bicontinuous concentric lamellar silica synthesized at atmospheric pressure and its application as an internal micro-reflector in dye-sensitized solar cells
Authors: Silmi Nadiatus , Arsyad Rafiq , Benu Didi Prasetyo , Nugroho Fairuz Gianirfan , Khasannah Wiji Lestari , Iqbal Muhammad , Yuliarto Brian , Mukti Rino Rakhmata , Suendo Veinardi
Published: August 2023

KCC-1, a nanostructured silica with a bicontinuous concentric lamellar (bcl) morphology, can act as micro-reflectors to improve light-harvesting in dye-sensitized solar cells (DSSCs) using its open channel structure and low refractive index.
Pulsed-ramped-field-ionisation zero-kinetic-energy photoelectron spectroscopy of the metastable rare-gas atoms Ar, Kr and Xe
Authors: Herburger Holger , Wirth Vincent , Hollenstein Urs , Merkt Frédéric
Published: August 2023

The photoionisation of the rare-gas atoms Rg = Ar, Kr and Xe is investigated at the Rg+ […](ns)2(np)5 2P3/2 ← Rg[…](ns)2(np)5((n + 1)s)13P2 photoionisation threshold (n = 3, 4 and 5 for Ar, Kr and Xe) using pulsed-ramped-field-ionisation zero-kinetic-energy (PRFI-ZEKE) photoelectron spectroscopy.
Electric field control of magnetic states in ferromagnetic–multiferroic nanostructures
Authors: Gareeva Zukhra , Shulga Nikolai , Doroshenko Rurik , Zvezdin Anatoly
Published: August 2023

Multiferroic oxides are considered as key elements of energy-consuming devices for scalable logic and information storage technologies. A model of magnetization reversal processes in a nanoscale exchange-coupled ferromagnetic–multiferroic film in an electric field has been developed.
Carrier mobility of two-dimensional Dirac materials: the influence of optical phonon scattering
Authors: Wang Yingqi , Wang Zijian , Cheng Ting , Liu Zhirong
Published: August 2023

Relaxation time of the electron–optical phonon scattering process in two-dimensional Dirac materials (graphene, 300 K). The shape of the curve is independent of the material type and temperature.
Enhancing phonon thermal transport in 2H-CrX2 (X = S and Se) monolayers through robust bonding interactions
Authors: Tang Shuwei , Wan Da , Bai Shulin , Fu Shengkai , Wang Xinyu , Li Xiaodong , Zhang Jingyi
Published: August 2023

The thermal transport mechanisms of 2H-CrX2 (X = S and Se) monolayers are theoretically evaluated to provide guidance for experimental investigations on thermal management materials with a 2H phase.
Enlightening dynamic functions in molecular systems by intrinsically chiral light-driven molecular motors
Authors: Sheng Jinyu , Pooler Daisy R. S. , Feringa Ben L.
Published: August 2023

Chirality is a fundamental property which plays a major role in chemistry, physics, biological systems and materials science.
Incorporation of density scaling constraint in density functional design via contrastive representation learning
Authors: Gong Weiyi , Sun Tao , Bai Hexin , Chowdhury Shah Tanvir ur Rahman , Chu Peng , Aryal Anoj , Yu Jie , Ling Haibin , Perdew John P. , Yan Qimin
Published: August 2023

We demonstrate that contrastive representation learning is a computationally efficient and flexible method to incorporate physical constraints, especially those defined by equalities, in machine-learning-based density functional design.
Chemical speciation and distribution of adsorbed Cd(ii) on goethite: influence of pH and sulfate
Authors: Xue Chao , Yi Xiaoyun , Yang Yuebei , Jiang Feng , Yin Hua , Dang Zhi
Published: August 2023

Simplified conceptualization of various Cd fractions binding on the goethite surface under different pH/sulfate conditions.
Evaluation of the toxicity profiles of three families of solvents from biomass: levulinate, lactate and furfural derivatives
Authors: Zuriaga Estefanía , Lomba Laura , García Cristina B. , Valero Marta Sofia
Published: August 2023

Cytotoxicity stress biomarkers, acetylcholinesterase and intestinal toxicity response have been studied in eleven solvents from biomass. All solvents showed low toxicity, with the furfural family showing the highest toxicity of all studied solvents.
Ni–N synergy enhanced the synthesis of formic acid via CO2 hydrogenation under mild conditions
Authors: Kaishyop Jyotishman , Khan Tuhin Suvra , Panda Satyajit , Chandewar Pranay Rajendra , Shee Debaprasad , Rocha Tulio C. R. , Vicentin Flavio C. , Bordoloi Ankur
Published: August 2023

Catalytic hydrogenation of CO2 to formic acid over Ni-based catalyst supported over N-doped TiO2.
Molecular simulations inform biomass dissolution in ionic liquids in pursuit of benign solvent-system design
Authors: Griffin Preston , Kostal Jakub
Published: August 2023

A tiered computational framework developed to discover safer and selective ionic liquids for lignocellulosic biomass deconstruction.
Carbazole-fused coumarin based oxime esters (OXEs): efficient photoinitiators for sunlight driven free radical photopolymerization
Authors: Zhang Yijun , Liu Zheng , Borjigin Timur , Graff Bernadette , Morlet-Savary Fabrice , Schmitt Michael , Gigmes Didier , Dumur Frédéric , Lalevée Jacques
Published: August 2023

The use of sunlight to initiate free radical polymerization under air is a key challenge.
Metal-free reusable hollow-spherical triazine microporous organic polymer supported quinolines synthesis via hydrogen evolution
Authors: Pathak Debabrat , Kalita Bikash Kumar , Sarmah Ashish , Sharma Himanshu , Bora Bidisha , Goswami Tridib K. , Sarma Bipul
Published: August 2023

A first-of-its-kind one-pot green and affordable gram-scale synthetic route to quinoline scaffolds is reported from readily available alcohols over metal-free N-rich hollow spherical porous organic polymer (MOP-TA) via H2 evolution.
Dibasic esters as green solvents for PVDF membrane preparation
Authors: Ismail Norafiqah , Zhou Qiuyueming , Wang Qian , Cui Zhaoliang , Skoglund Nils , Tavajohi Naser
Published: August 2023

Dibasic ester solvents are introduced for PVDF membrane fabrication. These solvents are non-hazardous, biodegradable, cheap, and widely available.
MnBr(CO)5: a commercially available highly active catalyst for olefin hydrosilylation under ambient air and green conditions
Authors: Vivien Anthony , Veyre Laurent , Mirgalet Raphaël , Camp Clément , Thieuleux Chloé
Published: August 2023

Commercially available MnBr(CO)5was found to be a remarkable catalyst for olefin hydrosilylation reactions using a wide range of olefins and silanes. This system tolerates unpurified substrates and can be used in green solvents under ambient air.
Metal-free photocatalytic transformation of waste polystyrene into valuable chemicals: advancing sustainability through circular economy
Authors: Ghalta Rajat , Bal Rajaram , Srivastava Rajendra
Published: August 2023

Upcycling waste polystyrene into valuable chemicals acetophenone and benzoic acid is developed through an innovative and environmentally-friendly photocatalytic process involving a metal-free carbon catalyst.
Solvent-free and catalyst-free direct alkylation of alkenes
Authors: Li Meng-Yao , Li Jiatong , Gu Ao , Nong Xiao-Mei , Zhai Shuyang , Yue Zhu-Ying , Feng Chen-Guo , Liu Yingbin , Lin Guo-Qiang
Published: August 2023

A convenient method for synthesizing trisubstituted alkenes through direct alkylation of alkenes was achieved under solvent-free and catalyst-free conditions. This reaction highlighted by a low E-factor and a high atom- and step-economy.
A new metallization method of modified tannic acid photoresist patterning
Authors: Tang Zicheng , Guo Xubin , Wang Haihua , Chen Huan , Kang Wenbing
Published: August 2023

A new process of in situ Ag fine pattern formation by direct pattern transfer of a modified tannic acid photoresist and in situ electroless plating in an Ag ion solution was reported.
Microfluidic membraneless microbial fuel cells: new protocols for record power densities
Authors: Khodaparastasgarabad Nastaran , Sonawane Jayesh M. , Baghernavehsi Haleh , Gong Lingling , Liu Linlin , Greener Jesse
Published: August 2023

The most advanced microfluidic microbial fuel cell to date incorporates new design parameters to control practical challenges associated with membaneless format, while new normalization protocols enable comparisons with systems at any scale.
Room-temperature photoconductivity in superconducting tungsten meander wires
Authors: Kumar Abhishek , Sharma Alka , Pandey Animesh , Saravanan M. P. , Husale Sudhir
Published: August 2023

At room temperature, the FIB fabricated tungsten meander wire shows positive photoconductivity features through the generation of extra charge carriers by absorbing photons of required energy from the illuminated 532 nm wavelength laser light.
High energy density liquid state asymmetric supercapacitor devices using Co–Cr–Ni–Fe–Mn high entropy alloy
Authors: Mohanty Gobinda C. , Gowda Chinmayee C. , Gakhad Pooja , Sanjay M. , Sarkar Suman , Biswas Koushik , Singh Abhishek , Tiwary Chandra S.
Published: August 2023

Synthesis of CoCrNiFeMn high entropy alloy by induction melting and ball-milling them into nanoparticles for high energy density and power density asymmetric liquid state supercapacitor device.
Design, synthesis, and anti-hepatocellular carcinoma of thiopyrimidine/chalcone hybrids as dual STAT3/STAT5 inhibitors
Authors: Altwaijry Najla , Sabour Rehab , Ibrahim Mona H. , Al kamaly Omkulthom , Abdullah Omeima , Harras Marwa F.
Published: August 2023

New thiopyrimidine/chalcone hybrids were synthesized for hepatocellular carcinoma treatment. Compound 5h was the most active one. Additionally, it displayed STAT3/STAT5 dual inhibitory action which was confirmed by western blot analysis.
Structure–activity relationship studies on vitamin D-based selective SREBP/SCAP inhibitor KK-052
Authors: Kawagoe Fumihiro , Mototani Sayuri , Mendoza Aileen , Takemoto Yasushi , Uesugi Motonari , Kittaka Atsushi
Published: August 2023

Lack VDR activity and show potent SREBP/SCAP inhibitory activity.
Syntheses and ligand exchange experiments of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes
Authors: Schumann Erik , Böhme Uwe , Brendler Erica , Mertens Florian
Published: August 2023

A series of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes is synthesized by targeted hydolyses of aluminum N,N-dialkylcarbamates.
Comprehensively evaluating the quality consistency of Forsythia suspensa by five-wavelength mean fusion fingerprint profiling combined with spectrum quantum fingerprint and antioxidant activity
Authors: Zhang Qian , Cai Ming , Fan Jiajia , Lan Lili , Sun Guoxiang
Published: August 2023

The objective of this study was to provide a comprehensive assessment methodology for the quality control of Forsythia suspensa (FS).
Cooperative assistance of a sulfonamide in a proline-mediated direct asymmetric aldol addition
Authors: Kumari Kiran , Bhati Meeta , Madhukar Roopendra Singh , Khan Akram Gulam Hussain , Janjani Prachi , Rajagopala Reddy S. , Easwar Srinivasan
Published: August 2023

A sulfonamide moiety was introduced at the C-4 position of proline, cis to the –COOH group, to examine a possible synergistic interaction between the two groups and the consequent influence on the enamine mediated asymmetric aldol reaction.
Ru–Fe4C nanoparticles loaded on N-doped carbon nanofibers as self-supporting high-efficiency hydrogen evolution electrocatalysts
Authors: Zou Qun , Zhu Yingjing , Zhang Rui , Guan Jibiao , Wang Lina , Guo Baochun , Zhang Ming
Published: August 2023

The Ru–Fe4C/NCNF (Ru : Fe = 1 : 6) catalyst exhibits excellent catalytic performance (η10 = 106 mV and η100 = 254 mV). The prepared catalyst can be used as a self-supporting working electrode and it shows excellent stability.
Redox-sensitive dimeric paclitaxel choline phosphate nanoliposomes for improved anticancer efficacy
Authors: Hu Jinzhong , Gao Zhiguo , Sun Kai , Liu Min , Wang Zining , Yu Jiaying , Wei Wanying , He Xiaofan , Wang Senlin , Li Yaojia , Sun Baiwang
Published: August 2023

Schematic illustration of the PTX disulfide CP conjugates liposomes (PTX-SS-CPs) formulations and its mechanism on GSH responsive tumor therapy.
Structural enzymology of iterative type I polyketide synthases: various routes to catalytic programming
Authors: Wang Jialiang , Deng Zixin , Liang Jingdan , Wang Zhijun
Published: August 2023

This article provides a comprehensive overview of the structural enzymology of type I iPKSs, focusing on the individual domain structures, catalytic mechanisms and the representative programming activities that each domain contributes.
Phonon mechanism of angle-dependent superlubricity between black phosphorus layers
Authors: Dong Yun , Hui Weibin , Rui Zhiyuan , Ding Yusong , Lian Fangming , Tao Yi
Published: August 2023

The atoms adjacent to the friction interface contribute most to friction energy dissipation.
Reversibly photoswitchable catalysts for high regioselectivity and enantioselectivity in polymerization of allenes
Authors: Zhou Li , Wu Yong-Jie , Chen Kun , Zhou Xing-Yu , Zou Hui , Kang Shu-Ming , Liu Na , Wu Zong-Quan
Published: August 2023

Two enantiomers Ni(ii)/LR-azo and Ni(ii)/LS-azo could be used as reversible photo-switchable catalysts for the high regioselectivity and enantioselectivity polymerization of allene monomers.
Metal-free Lewis-acid-catalyzed divergent trifluoromethylselenolation of alkynes: construction of α-trifluoromethylselenolated ketones and alkynes
Authors: Gao Yan , Xiao Rui , Feng Bingbing , Bian Zhiyi , Zhang Han , Zhu Gangguo , Wang Yanan , Yuan Zheliang
Published: August 2023

Herein, we have reported a metal-free Lewis-acid-catalyzed divergent trifluoromethylselenolation of alkynes to construct α-trifluoromethylselenolated ketones and trifluoromethylselenolated alkynes.