bluuebunny/crossref_metadata_2025 huggingface dataset:
Disorder of consciousness: Structural integrity of brain networks for the clinical assessment
Authors: Medina Carrion Jean Paul , Stanziano Mario , D'Incerti Ludovico , Sattin Davide , Palermo Sara , Ferraro Stefania , Sebastiano Davide Rossi , Leonardi Matilde , Bruzzone Maria Grazia , Rosazza Cristina , Nigri Anna
Published: January 2023

Aim

When studying brain networks in patients with Disorders of Consciousness (DoC), it is important to evaluate the structural integrity of networks in addition to their functional activity. Here, we investigated whether structural MRI, together with clinical variables, can be useful for diagnostic purposes and whether a quantitative analysis is feasible in a group of chronic DoC patients.

Methods

We studied 109 chronic patients with DoC and emerged from DoC with structural MRI: 65 in vegetative state/unresponsive wakefulness state (VS/UWS), 34 in minimally conscious state (MCS), and 10 with severe disability. MRI data were analyzed through qualitative and quantitative approaches.

Results

The qualitative MRI analysis outperformed the quantitative one, which resulted to be hardly feasible in chronic DoC patients. The results of the qualitative approach showed that the structural integrity of HighOrder networks, altogether, had better diagnostic accuracy than LowOrder networks, particularly when the model included clinical variables (AUC = 0.83). Diagnostic differences between VS/UWS and MCS were stronger in anoxic etiology than vascular and traumatic etiology. MRI data of all LowOrder and HighOrder networks correlated with the clinical score. The integrity of the left hemisphere was associated with a better clinical status.

Conclusions

Structural integrity of brain networks is sensitive to clinical severity. When patients are chronic, the qualitative analysis of MRI data is indicated.
Precision Tuning of Highly Selective Polyelectrolyte Membranes for Redox‐Mediated Electrochemical Separation of Organic Acids
Authors: Kim Nayeong , Lee Jiho , Su Xiao
Published: January 2023

The design of molecularly selective membranes is of paramount importance in the electrochemical separation of organic acids from complex fermentation streams, due to the presence of multicomponent species. However, current membrane‐integrated electrochemical technologies have relied on ion‐exchange membranes that lack intrinsic ion‐selectivity, thus preventing their application for value‐added recovery of organic acids from competing ions. Here, this study demonstrates a layer‐by‐layer polyelectrolyte functionalization approach for controlling ion‐selectivity, to achieve the multicomponent separation of organic acids in a redox‐flow electrodialysis platform. This study carries out a detailed investigation of the surface morphology and physicochemical properties of functionalized membranes, underlying that the selectivity of organic acids can be precisely tuned through the control of the hydrophilicity, electrostatic repulsion, and steric hindrance. Tailoring of membrane physiochemical properties enables up to complete retention of succinate, while enhancing the total flux. This organic acid retention is extended to the control over mono‐ and multivalent organic acids. Integration of functionalized membrane with the redox‐flow system allows selective succinic acid recovery with 99.7% purity from a synthetic fermentation mixture, high energy efficiency, and membrane stability. Modulation of ion‐selectivity through membrane functionalization coupled with  electrochemical architecture design enables a sustainable pathway for multicomponent separations in biomanufacturing.
Metal‐Organic Frameworks for Gene Therapy and Detection
Authors: He Yaping , Li Daifeng , Wu Li , Yin Xianzhen , Zhang Xiaojian , Patterson Laurence H. , Zhang Jiwen
Published: January 2023

Gene therapy holds great promise as a biomedicine for treating cancer, viral infection, and recessive gene disorders, while genetic detection has been used for disease diagnosis and prevention. The appropriate carrier is crucial to improve the delivery efficiency of nucleic acids. Although viral and nonviral delivery vectors have been developed, their poor nucleic acid loading efficiency, off‐target toxicity, and immunogenicity significantly hamper their use. Metal‐organic frameworks (MOFs) have attracted a lot of attention owing to their high surface areas and tunable structures. Recently, nanometric MOFs are shown to be promising nonviral vectors in gene delivery and detection although at an early stage of development. This review focuses on highlighting the current status and promising breakthroughs of MOF use in nucleic acid delivery, including siRNA, miRNA and mRNA delivery, DNA gene delivery and transfection, as well as probes for detection of gene expression. This study will help promote the clinical transformation and application of gene modulation, gene delivery, and detection that use of MOFs can offer.
Construction of VS2/VOx Heterostructure via Hydrolysis‐Oxidation Coupling Reaction with Superior Sodium Storage Properties
Authors: Zhang Yuxiang , Chen Yangziyu , Jiang Yan , Wang Jing , Zheng Xiangyi , Han Bo , Xia Kaisheng , Gao Qiang , Cai Zhao , Zhou Chenggang , Sun Ruimin
Published: January 2023

Heterostructure engineering is one of the most promising modification strategies for reinforcing Na+ storage of transition metal sulfides. Herein, based on the spontaneous hydrolysis‐oxidation coupling reaction of transition metal sulfides in aqueous media, a VOx layer is induced and formed on the surface of VS2, realizing tight combination of VS2 and VOx at the nanoscale and constructing homologous VS2/VOx heterostructure. Benefiting from the built‐in electric field at the heterointerfaces, high chemical stability of VOx, and high electrical conductivity of VS2, the obtained VS2/VOx electrode exhibits superior cycling stability and rate properties. In particular, the VS2/VOx anode shows a high capacity of 878.2 mAh g−1 after 200 cycles at 0.2 A g−1. It also exhibits long cycling life (721.6 mAh g−1 capacity retained after 1000 cycles at 2 A g−1) and ultrahigh rate property (up to 654.8 mAh g−1 at 10 A g−1). Density functional theory calculations show that the formation of heterostructures reduces the activation energy for Na+ migration and increases the electrical conductivity of the material, which accelerates the ion/electron transfer and improves the reaction kinetics of the VS2/VOx electrode.
Transcriptomic Changes toward Osteogenic Differentiation of Mesenchymal Stem Cells on 3D‐Printed GelMA/CNC Hydrogel under Pulsatile Pressure Environment
Authors: Ganguly Keya , Dutta Sayan Deb , Randhawa Aayushi , Patel Dinesh K. , Patil Tejal V. , Lim Ki‐Taek
Published: January 2023

Biomimetic soft hydrogels used in bone tissue engineering frequently produce unsatisfactory outcomes. Here, it is investigated how human bone‐marrow‐derived mesenchymal stem cells (hBMSCs) differentiated into early osteoblasts on remarkably soft 3D hydrogel (70 ± 0.00049 Pa). Specifically, hBMSCs seeded onto cellulose nanocrystals incorporated methacrylate gelatin hydrogels are subjected to pulsatile pressure stimulation (PPS) of 5–20 kPa for 7 days. The PPS stimulates cellular processes such as mechanotransduction, cytoskeletal distribution, prohibition of oxidative stress, calcium homeostasis, osteogenic marker gene expression, and osteo‐specific cytokine secretions in hBMSCs on soft substrates. The involvement of Piezo 1 is the main ion channel involved in mechanotransduction. Additionally, RNA‐sequencing results reveal differential gene expression concerning osteogenic differentiation, bone mineralization, ion channel activity, and focal adhesion. These findings suggest a practical and highly scalable method for promoting stem cell commitment to osteogenesis on soft matrices for clinical reconstruction.
Advanced Material Design and Engineering for Water‐Based Evaporative Cooling
Authors: Li Renyuan , Wang Wenbin , Shi Yifeng , Wang Chang‐ting , Wang Peng
Published: January 2023

Water‐based evaporative cooling is emerging as a promising technology to provide sustainable and low‐cost cold to alleviate the rising global cooling demand. Given the significant and fast progress made in recent years, this review aims to provide a timely overview on the state‐of‐the‐art material design and engineering in water‐based evaporative cooling. The fundamental mechanisms and major components of three water‐based evaporative cooling processes are introduced, including direct evaporative cooling, cyclic sorption‐driven liquid water evaporative cooling (CSD‐LWEC), and atmospheric water harvesting‐based evaporative cooling (AWH‐EC). The distinctive requirements on the sorbent materials in CSD‐LWEC and AWH‐EC are highlighted, which helps synthesize the literature information on the advanced material design and engineering for the purpose of improving cooling performance. The challenges and future outlooks on further improving the water‐based evaporative cooling performance are also provided.
Orally Administrable H2S‐Scavenging Metal–Organic Framework Prepared by Co‐Flow Microfluidics for Comprehensive Restoration of Intestinal Milieu
Authors: Dou Yunsheng , Liu Ping , Ding Ziqiao , Zhou Yue , Jing Huaqing , Ren Yingzi , Heger Zbynek , Adam Vojtech , Li Nan
Published: January 2023

Intestinal milieu disorders are strongly related to the occurrence of inflammatory bowel diseases (IBDs), which results from mucosa destruction, epithelium disruption, and tight junction (TJ) proteins loss. Excess of H2S in the intestinal milieu produced by the sulfate‐reducing bacteria metabolism contributes to development of IBDs via epithelial barrier breakdown. Conventional interventions, such as surgery and anti‐inflammatory medications, are considered not completely effective because of frequent recurrence and other complications. Herein, a novel oral delivery system, a hydroxypropyl methylcellulose acetate succinate (HPMCAS)‐based polymer‐coated Zr‐based metal–organic framework (UiO‐66) with a Cux‐rhodamine B (CR) probe (hereinafter referred to as HUR), is produced via a co‐flow microfluidic approach with the ability to reduce H2S levels, thus restoring the intestinal lumen milieu. HPMCAS serves as an enteric coating that exposes UiO‐66@CR at the pH of the intestine but not the acidic pH of the stomach. The synthesized HUR exhibits notable therapeutic efficacy, including mucosa recovery, epithelium integrity restoration, and TJ proteins upregulation via H2S scavenging to protect against intestinal barrier damage and microbiome dysbiosis. Thus, HUR is verified to be a promising theranostic platform able to decrease the H2S content for intestinal milieu disorder treatment. The presented study therefore opens the door for further exploitation for IBDs therapy.
A New Zinc Salt Chemistry for Aqueous Zinc‐Metal Batteries
Authors: Du Haoran , Dong Yanhao , Li Qing‐Jie , Zhao Ruirui , Qi Xiaoqun , Kan Wang‐Hay , Suo Liumin , Qie Long , Li Ju , Huang Yunhui
Published: January 2023

Aqueous zinc‐ion batteries (ZIBs) are promising energy storage solutions with low cost and superior safety, but they suffer from chemical and electrochemical degradations closely related to the electrolyte. Here, a new zinc salt design and a drop‐in solution for long cycle‐life aqueous ZIBs are reported. The salt Zn(BBI)2 with a rationally designed anion group, N‐(benzenesulfonyl)benzenesulfonamide (BBI−), has a special amphiphilic molecular structure, which combines the benefits of hydrophilic and hydrophobic groups to properly tune the solubility and interfacial condition. This new zinc salt does not contain fluorine and is synthesized via a high‐yield and low‐cost method. It is shown that 1 m Zn(BBI)2 aqueous electrolyte with a widened cathodic stability window effectively stabilizes Zn metal/H2O interface, mitigates chemical and electrochemical degradations, and enables both symmetric and full cells using a zinc‐metal electrode.
Control of Host‐Matrix Morphology Enables Efficient Deep‐Blue Organic Light‐Emitting Devices
Authors: Zhao Haonan , Kim Jongchan , Ding Kan , Jung Mina , Li Yongxi , Ade Harald , Lee Jun Yeob , Forrest Stephen R.
Published: January 2023

Mixing a sterically bulky, electron‐transporting host material into a conventional single host–guest emissive layer is demonstrated to suppress phase separation of the host matrix while increasing the efficiency and operational lifetime of deep‐blue phosphorescent organic light‐emitting diodes (PHOLEDs) with chromaticity coordinates of (0.14, 0.15). The bulky host enables homogenous mixing of the molecules comprising the emissive layer while suppressing single host aggregation; a significant loss channel of nonradiative recombination. By controlling the amorphous phase of the host‐matrix morphology, the mixed‐host device achieves a significant reduction in nonradiative exciton decay, resulting in 120 ± 6% increase in external quantum efficiency relative to an analogous, single‐host device. In contrast to single host PHOLEDs where electrons are transported by the host and holes by the dopants, both charge carriers are conducted by the mixed host, reducing the probability of exciton annihilation, thereby doubling of the deep‐blue PHOLED operational lifetime. These findings demonstrate that the host matrix morphology affects almost every aspect of PHOLED performance.
Tunable NIR Lasing in MOF for Multi‐Level Complex Photonic Barcodes
Authors: Zhang Lin , Li Hongjun , Yang Yu , Cui Yuanjing , Qian Guodong
Published: January 2023

Developing functional photonic tags is of great importance to meet the globally increasing demand for information security and anti‐counterfeiting. However, it still suffers from the restricted encoding capacity, low complexity, and unsatisfactory confidentiality. Herein, a strategy is demonstrated to construct multi‐level complex photonic barcodes in near‐infrared (NIR) region based on a composition‐graded metal‐organic framework (MOF) heterostructure with the hierarchical encapsulation of different dye molecules. Such MOF microstructure exhibits switchable dual‐wavelength NIR lasing by adjusting the excited position, polarization direction, and pump energy. Thus, through converting the laser spectra with dynamic and regular changes to solid bars, the multi‐block photonic barcodes with three‐level encoding system are constructed, dramatically increasing the complexity and capacity. It makes the MOF‐based heterostructure with switchable lasing properties become a hard‐to‐counterfeit potential material for advanced anticounterfeiting of high‐level security.
LncRNA LIMp27 Regulates the DNA Damage Response through p27 in p53‐Defective Cancer Cells
Authors: La Ting , Chen Song , Zhao Xiao Hong , Zhou Shuai , Xu Ran , Teng Liu , Zhang Yuan Yuan , Ye Kaihong , Xu Liang , Guo Tao , Jamaluddin Muhammad Fairuz , Feng Yu Chen , Tang Hai Jie , Wang Yanliang , Xu Qin , Gu Yue , Cao Huixia , Liu Tao , Thorne Rick F. , Shao Feng‐Min , Zhang Xu Dong , Jin Lei
Published: January 2023

P53 inactivation occurs in about 50% of human cancers, where p53‐driven p21 activity is devoid and p27 becomes essential for the establishment of the G1/S checkpoint upon DNA damage. Here, this work shows that the E2F1‐responsive lncRNA LIMp27 selectively represses p27 expression and contributes to proliferation, tumorigenicity, and treatment resistance in p53‐defective colon adenocarcinoma (COAD) cells. LIMp27 competes with p27 mRNA for binding to cytoplasmically localized hnRNA0, which otherwise stabilizes p27 mRNA leading to cell cycle arrest at the G0/G1 phase. In response to DNA damage, LIMp27 is upregulated in both wild‐type and p53‐mutant COAD cells, whereas cytoplasmic hnRNPA0 is only increased in p53‐mutant COAD cells due to translocation from the nucleus. Moreover, high LIMp27 expression is associated with poor survival of p53‐mutant but not wild‐type p53 COAD patients. These results uncover an lncRNA mechanism that promotes p53‐defective cancer pathogenesis and suggest that LIMp27 may constitute a target for the treatment of such cancers.
A Flexible Wireless sEMG System for Wearable Muscle Strength and Fatigue Monitoring in Real Time
Authors: Gong Qibei , Jiang Xijun , Liu Yuxuan , Yu Min , Hu Youfan
Published: January 2023

The detection of surface electromyography (sEMG) signals on the skin has attracted increasing attention because of its ability to monitor muscle conditions in a noninvasive manner and thus possesses great application potential to assess athletic status and training efficiency in real time or to evaluate postoperative muscle rehabilitation conveniently. Here, a flexible wireless sEMG monitoring system that consists of a stretchable sEMG epidermal patch and a flexible printed circuit board to provide real‐time evaluation of muscle strength and fatigue is reported. The epidermal patch is designed to have good stretchability and permeability and optimized to ensure a low contact impedance with the skin and minimized background noise for sEMG signal acquisition with high fidelity. Six commonly used time‐domain and two frequency‐domain features extracted from sEMG signals are systematically analyzed, and a strategy for feature selection and pattern identification is proposed that eventually enables the real‐time assessment of muscle strength and fatigue by using an integrated system in a wearable form.
New Pathways toward Sustainable Sn‐Related Perovskite Solar Cells
Authors: Chang Xueqing , Yang Guo , Zhong Jun-Xing , Tan Ying , Wu Wu-Qiang
Published: January 2023

Sn‐related perovskite solar cells (PSCs) have emerged as one of the most promising lead‐free, environmentally viable photovoltaic technologies. Recent years have witnessed rapid development in terms of soaring photovoltaic performances of Sn‐related PSCs, progressively narrowing their power conversion efficiency (PCE) gaps to the Pb‐based counterparts. However, further enhancement of PCE and lifespan are largely limited by the easy oxidation of Sn2+ and by‐products‐induced defects. Beyond the stereotyped antioxidation strategies using reducing agents, in this perspective, several novel chemical pathways, which are able to simultaneously boost the PCE and stability of Sn‐related PSCs, are summarized and highlighted. In addition, the impact of molecular design on the antioxidation, de‐doping, defect passivation effect, and other optoelectronic properties of Sn‐based perovskite films and devices is elucidated. Last but not least, associated challenges and future research directions are also discussed and proposed for fabricating efficient, stable, and sustainable Sn‐related optoelectronic devices.
When cointegration is interrupted: Price transmission analysis in the Italian dairy‐feed industry
Authors: Cattivelli Luca , Antonioli Federico
Published: January 2023

We analyze price transmission dynamics in the under‐investigated feed supply chain, applying a special case of the Threshold Vector Error Correction model where the cointegrating relationship is interrupted. Weekly Italian dairy feed and corn prices are used, finding evidence of asymmetric price transmission when the feed industry's margins are squeezed and highly volatile. The proposed Interrupted Threshold Cointegration model represents a valid complement to existing threshold and regime‐switching techniques, allowing for the application of an agile nonstructural error correction model when standard cointegration tests fail to detect any long‐run relationship between price series. [EconLit Citations: Q11, Q13, C24].
Burned and buried: A vibrational spectroscopy analysis of burial‐related diagenetic changes of heat‐altered human bones
Authors: Rosa Joana , Vassalo Ana R. , Amarante Ana , Batista de Carvalho Luis A. E. , Marques Maria Paula M. , Ferreira Maria Teresa , Gonçalves David
Published: January 2023

Objectives

The analysis of burned human remains can be very challenging due to heat‐induced alterations. Occasionally, human bones present these coupled with diagenetic changes, offering even more of a challenge, since there is a lack of studies regarding interactions between both taphonomic phenomena. With this study, we aimed to assess and document the effects of inhumation on the chemical composition of both unburned and burned human skeletal remains.

Materials and Methods

We buried, for 5 years, four groups of human bone samples comprising unburned bones and bones experimentally burned at 500, 900, and 1050 °C. Periodic exhumations were carried out to collect bone samples to be analyzed through Fourier transform infrared spectroscopy in attenuated total reflectance mode, in order to calculate four chemical indexes: (1) crystallinity index (CI); (2) type B carbonates to phosphate index (BPI); (3) total carbonates (A + B) to carbonate B ratio (C/C); and (4) OH to phosphate ratio (OH/P).

Results

After inhumation, CI and C/C of unburned bones and bones burned at 500 °C, and BPI of bones burned at 1050 °C did not vary significantly. However, the remaining indexes showed both relevant increments and reductions throughout observations, depending on burning temperature and index.

Discussion

Our results suggest that diagenesis can have an effect in bone's molecular composition. However, these effects do not seem to significantly affect the conclusions that can be taken from the analysis of infrared bone spectra, at least in the case of inhumations with a duration of 5 years or less.
The ambivalence toward neuropsychology in dementia research, diagnosis, and drug development: Myths and misconceptions
Authors: Jónsdóttir María K. , Harrison John , Hannesdóttir Kristín I.
Published: January 2023

Clinical assessment remains the gold standard for diagnosing dementia, monitoring progression, and conducting clinical research. Biomarkers hold promise for targeted therapeutic approaches, selection of participants in clinical trials, and direct physiological efficacy readouts. However, the anchoring of biomarker research to clinical symptomatology is often based on short and insensitive cognitive screening. This gives the impression that cognitive symptoms occur relatively late and that their progression in the early stages of the disease is slow. A thorough cognitive assessment is a powerful tool and has a key role in the accurate and early diagnosis of dementia. It is very different from the cognitive testing usually seen in biomarker research and drug development. Yet the distinction between these approaches is unclear to many. This paper highlights the misconceptions around cognitive research in dementia and suggests a way forward to facilitate biomarker and drug development through the improved utility of cognitive assessment tools.
Prevalence of dementia in India: National and state estimates from a nationwide study
Authors: Lee Jinkook , Meijer Erik , Langa Kenneth M. , Ganguli Mary , Varghese Mathew , Banerjee Joyita , Khobragade Pranali , Angrisani Marco , Kurup Ravi , Chakrabarti Sankha Shubhra , Gambhir Indrajeet Singh , Koul Parvaiz A. , Goswami Debabrata , Talukdar Arunanshu , Mohanty Rashmi Ranjan , Yadati Raju Sathyanarayana , Padmaja Mekala , Sankhe Lalit , Rajguru Chhaya , Gupta Monica , Kumar Govind , Dhar Minakshi , Chatterjee Prasun , Singhal Sunny , Bansal Rishav , Bajpai Swati , Desai Gaurav , Rao Abhijith R. , Sivakumar Palanimuthu T. , Muliyala Krishna Prasad , Bhatankar Swaroop , Chattopadhyay Aparajita , Govil Dipti , Pedgaonkar Sarang , Sekher T. V. , Bloom David E. , Crimmins Eileen M. , Dey Aparajit Ballav
Published: January 2023

Introduction

Prior estimates of dementia prevalence in India were based on samples from selected communities, inadequately representing the national and state populations.

Methods

From the Longitudinal Aging Study in India (LASI) we recruited a sample of adults ages 60+ and administered a rich battery of neuropsychological tests and an informant interview in 2018 through 2020. We obtained a clinical consensus rating of dementia status for a subsample (N = 2528), fitted a logistic model for dementia status on this subsample, and then imputed dementia status for all other LASI respondents aged 60+ (N = 28,949).

Results

The estimated dementia prevalence for adults ages 60+ in India is 7.4%, with significant age and education gradients, sex and urban/rural differences, and cross‐state variation.

Discussion

An estimated 8.8 million Indians older than 60 years have dementia. The burden of dementia cases is unevenly distributed across states and subpopulations and may therefore require different levels of local planning and support.

Highlights

The estimated dementia prevalence for adults ages 60+ in India is 7.4%.

About 8.8 million Indians older than 60 years live with dementia.

Dementia is more prevalent among females than males and in rural than urban areas.

Significant cross‐state variation exists in dementia prevalence.
Realizing Textured Zinc Metal Anodes through Regulating Electrodeposition Current for Aqueous Zinc Batteries
Authors: Yuan Wentao , Nie Xueyu , Ma Guoqiang , Liu Mengyu , Wang Yuanyuan , Shen Shigang , Zhang Ning
Published: January 2023

Crystallography modulation of zinc (Zn) metal anode is promising to promote Zn reversibility in aqueous electrolytes, but efficiently constructing Zn with specific crystallographic texture remains challenging. Herein, we report a current‐controlled electrodeposition strategy to texture the Zn electrodeposits in conventional aqueous electrolytes. Using the electrolytic cell with low‐cost Zn(CH3COO)2electrolyte and Cu substrate as a model system, the texture of as‐deposited Zn gradually transforms from (101) to (002) crystal plane as increasing the current density from 20 to 80 mA cm−2. Moreover, the high current accelerates the Zn nucleation rate with abundant nuclei, enabling uniform deposition. The (002) texture permits stronger resistance to dendrite growth and interfacial side reactions than the (101) texture. The resultant (002)‐textured Zn electrode achieves deep cycling stability and supports the stable operation of full batteries with conventional V/Mn‐based oxide cathodes.
Fabrication of poly methylacrylate acid hybrid silica core‐shell microspheres with redox responsive biodegradability for drug delivery
Authors: Li Jiagen , Jian Xiaoyi , Wang Yuqing , Zhong Zhanqiong , Fu Xiaohong , Deng Guowei , Li Zhonghui
Published: January 2023

A biodegradable silica was fabricated to achieve effective tumor microenvironment responsive drug delivery with low drug leakage (4%, 80 h) and good biosafety. A disulfide bond embedded copolymer composited by methylacrylic acid (MAA) and vinyl trimethoxysilane was utilized for the in situ synthesis of the PMAA hybrid biodegradable silica shell. The biodegradable silica was introduced as a gatekeeper to alter the drug release behavior of the doxorubicin‐loaded in the mesoporous silica microspheres. The fabrication process and glutathione‐responsive degradation of the drug delivery system were carefully studied. In vitro drug release experiments revealed that 65% of the loaded drug could be released after 80 h in simulated tumor environment. The biocompatibility of the carrier and the anti‐cancer efficiency against the HepG2 cancer cell line were studied with the cell counting kit‐8 assay. The method to prepare the biodegradable silica reported in this work might provide new thought to the fabrication of high‐performance drug delivery systems.
Transition State Stabilization by SCF2−H⋅⋅⋅O Bifurcated Hydrogen Bond
Authors: Zhang Jingjing , Shao Yingbo , Zheng Hanliang , Xue Xiao‐Song
Published: January 2023

The difluoromethylthio group (SCF2H), which is generally considered a highly lipophilic weak hydrogen bonding donor, has attracted special interest from the pharmaceutical and agrochemical industry. Remarkably, there have been relatively few literature investigations of SCF2H hydrogen bonding interactions. Here, we report the determination of the hydrogen bond acidity parameter A of the SCF2H in the most popularly used electrophilic difluoromethylthiolating reagent. We present kinetic and computational evidence of the RSCF2−H⋅⋅⋅O2 bifurcated hydrogen bond for stabilizing the SCF2H‐transferring transition state, which could cause a reversal of apparent electrophilic reactivity of difluoromethylthiolating and trifluoromethylthiolating reagents. Solvent effects on the RSCF2−H⋅⋅⋅O2 bifurcated hydrogen bonds will also be discussed.
Herstellung und Errichtung – TWIST
Authors: Jesse Frank
Published: January 2023

Die Schalenkonstruktion TWIST des CUBE‐Ergebnishauses wurde im Nassspritzverfahren aus Carbonbeton errichtet. Der Bericht aus der Perspektive des ausführenden Unternehmens liefert eine detaillierte Beschreibung der technologischen Realisierung auf der Grundlage der zur Ausführung übergebenen Planung. Der Beitrag geht auf besondere Aspekte der Herstellung ein, die sich aus der Technologie, den eingesetzten Baustoffen, den Baustoffeigenschaften und den bauzeitlichen Rahmenbedingungen ergeben. Die gesammelten Erfahrungen sollen der Weiterentwicklung der Carbonbetonbauweise dienen und den Entwicklungsbedarf zur Praxisreife bezüglich der Bauausführung aufzeigen.
Degradation mechanism of all‐solid‐state lithium‐ion batteries with argyrodite Li7−xPS6−xClx sulfide through high‐temperature cycling test
Authors: Ando Keisuke , Matsuda Tomoyuki , Miwa Takuya , Kawai Mitsumoto , Imamura Daichi
Published: January 2023

Sulfide‐based all‐solid‐state lithium‐ion batteries (LIBs) are promising replacements for conventional liquid electrolyte LIBs. However, their degradation mechanisms and analysis methods are poorly understood. Herein, the degradation mechanism of an argyrodite‐type sulfide‐based all‐solid‐state prototype LIB cell is reported. Furthermore, an analysis method for all‐solid‐state batteries using charge/discharge cycle tests at 100°C followed by the disassembly analysis of cells before and after accelerated degradation tests is reported. Based on the findings of this study, the degradation of the prototype cell is classified as follows: (i) solid electrolyte (SE) oxidation in the positive electrode, which recovers battery capacity and increases resistance; (ii) SE reduction in the negative electrode, which decreases capacity; (iii) lithium deposition on/in the negative electrode, which decreases capacity; and (iv) capacity loss of the positive electrode, which decreases capacity. These degradation reactions appear to occur simultaneously. These findings are expected to aid the development of sulfide‐based solid‐electrolyte LIBs with improved safety and energy densities.
Lateral Migration of Variously Shaped Particles: A Computational Study
Authors: Neeraj Manjappatta Pazhiyottumana , Maniyeri Ranjith
Published: January 2023

The current work deals with the simulation of lateral migration of differently shaped particles in a straight channel through which fluid flows with a Poiseuille pattern of flow. The immersed boundary method based on feedback force is adopted for the current work. The equilibrium positions and migration times for circular, elliptical, rectangular, square, and biconcave particles are studied and presented. The cases of neutral and massive (high ratio of particle density to fluid density) particles are presented, and in both scenarios the biconcave particle attains its equilibrium position closest to the bottom wall and the elliptical particle acquires its equilibrium position closest to the channel center. Also, the migration time is highest for the biconcave particle, whereas it is lowest for the rectangular particle.
Azo Appended Modified Lawsone Derived Ru‐Systems with Multi‐Redox Entities. Competitive Electronic Form and the Question of Azo Reduction
Authors: Arya Yogita , Kumar Bera Sudip , Kumar Lahiri Goutam
Published: January 2023

The article dealt with the ruthenium complexes of redox active azo appended modified lawsone L1− (HL1: (E)‐2‐hydroxy‐3‐(p‐tolyldiazenyl)naphthalene‐1,4‐dione))/L2− (HL2:5‐hydroxy‐6‐p‐tolylazobenzo[a]phenazine) derived [RuIII(acac)2(L1−)]/[RuIII(acac)2(L2−)] 1/5, [RuII(bpy)2(L1−)]ClO4/[RuII(bpy)2(L2−)]ClO4 [2]ClO4/[6]ClO4, ctc‐[RuII(pap)2(L1−)]ClO4/ctc‐[RuII(pap)2(L2−)]ClO4 [3]ClO4/[7]ClO4 and [RuII(CO)(H)(PPh3)2 (L1−)]/[RuII(CO)(Cl)(PPh3)2(L2−)] 4/8 (acac=acetylacetonate, bpy=2,2′‐bipyridine, pap=2‐phenylazopyridine). The ligands L1− and L2− differed with respect to the para‐quinone versus phenazine moieties linked to the azo function. Structural analysis of the complexes established unreduced state of the azo (N=N) group of coordinated L1−/L2− or pap as well as unprecedented para‐quinone form of L1−. The involvement of selective redox center(s) towards the accessible redox steps of the complexes encompassing multiple redox active entities i. e. Ru, phenolate (L1−/L2−), para‐quinone (L1−), phenazine (L2−), azo (L1−/L2−, pap), diimine (bpy) was analyzed by combined experimental and DFT calculations. It revealed that under the prevailing competitive scenario oxidation was mostly dominated by the phenolate group of L1−/L2− (phenolate→phenoxide), while successive reductions were taken place either at the para‐quinone/phenazine units of L1−/L2− or azo/diimine functions of pap/bpy. Though the azo function of pap in 3+/7+ underwent facile reduction, the same azo function associated with L1−/L2− conspicuously remained unreduced in all occasions. The frontier molecular orbital analysis revealed that the propensity of pap for the azo reduction with special reference to that in L1−/L2− could be correlated with its relatively lower energy π* orbital (LUMO). Complexes displayed intense LMCT (1/5) and bpy (2+/6+), pap (3+/7+), L (4/8) targeted MLCT transitions in the visible region.
Size dependent change of mean square displacement in gold nanocrystals: A molecular dynamics simulation
Authors: Batyrow Merdan , Eruçar İlknur , Öztürk Hande
Published: January 2023

Thermally activated atomic vibrations significantly decrease the x‐ray diffraction intensities of nanocrystalline powders. Hence their quantification is critical for accurate structural characterization of small nanocrystals by x‐ray diffraction. In this study, atomic vibrations in the form of mean square displacements (MSDs) in 5, 10, 15, 20, and 30 nm diameter spherical gold nanocrystals were computed by molecular dynamics (MD) simulations at room temperature and below. A strong size and temperature dependency of MSD was observed from spherical gold nanocrystals. Moreover, these displacements increased radially from the center of the nanocrystals and reached a maximum at the surface layers due to the presence of undercoordinated surface atoms and their relatively unrestricted motions. High temperature simulations were performed to investigate the evolution of structural stability of nanoparticles with increasing temperature. Surface melting was observed before complete melting of nanocrystals. Results of this work will be useful to understand the effect of nanocrystal size on the amplitude of thermally activated atomic vibrations and their quantification in measured intensities by x‐ray diffraction experiments.
Turning Polyethylene Waste to Hydrocarbons Using a Sustainable Acidic Carbocatalyst
Authors: Al‐Naji Majd , Antonietti Markus
Published: January 2023

Careless release of plastic waste is a pressing problem for marine and other eco‐environments, and materials recycling of this stream is an open problem. For this purpose, a new metal‐free acidic carbocatalyst with 8 wt % sulfur is constructed from a side product of the paper industry namely Na‐lignosulfonate. The catalyst shows an extraordinary performance for the fragmentation of polymer waste which smoothly occurs above the ceiling temperature of the polymers. The reaction is run without hydrogen and at ambient pressure with commercially available high‐density polyethylene (HDPE) as well as a real polymer waste mixture of high and low‐density polyethylene (HDPE, LDPE). In all cases, a homologous series of n‐alkanes and n‐alkenes are obtained. The unique sulfur‐rich carbonaceous structure (transfer hydrogenation functionality) and the metal‐free character of the acidic carbocatalyst makes it inert against many typical catalyst poisons, among them water, salt, polar functionalities, and sulfur species. The described performance in plastic recycling, as well as the low cost and large‐scale availability of lignosulfonate from the pulp industry, makes this metal‐free acidic carbocatalyst promising for real‐life environmental applications.
Chronic nicotine exposure alters sperm small RNA content in C57BL/6J mouse model
Authors: Zeid Dana , Gould Thomas J.
Published: January 2023

Multigenerational inheritance is a nongenomic form of heritability characterized by altered phenotypes in the first generation born from the exposed parent. Multigenerational factors may account for inconsistencies and gaps in heritable nicotine addiction vulnerability. Our lab previously found that F1 offspring of male C57BL/6J mice chronically exposed to nicotine exhibited altered hippocampus functioning and related learning, nicotine‐seeking, nicotine metabolism, and basal stress hormones. In an effort to identify germline mechanisms underlying these multigenerational phenotypes, the current study sequenced small RNA extracted from sperm of males chronically administered nicotine using our previously established exposure model. We identified 16 miRNAs whose expression in sperm was dysregulated by nicotine exposure. A literature review of previous research on these transcripts suggested an enrichment for regulation of psychological stress and learning. mRNAs predicted to be regulated by differentially expressed sperm small RNAs were further analyzed using exploratory enrichment analysis, which suggested potential modulation of pathways related to learning, estrogen signaling, and hepatic disease, among other findings. Overall, our findings point to links between nicotine‐exposed F0 sperm miRNA and altered F1 phenotypes in this multigenerational inheritance model, particularly F1 memory, stress, and nicotine metabolism. These findings provide a valuable foundation for future functional validation of these hypotheses and characterization of mechanisms underlying male‐line multigenerational inheritance.
Tuning static drop friction
Authors: Laroche Alexandre , Naga Abhinav , Hinduja Chirag , Sharifi Azadeh Aghili , Saal Alexander , Kim Hyeonjin , Gao Nan , Wooh Sanghyuk , Butt Hans‐Jürgen , Berger Rüdiger , Vollmer Doris
Published: January 2023

The friction force opposing the onset of motion of a drop on a solid surface is typically considered to be a material property for a fixed drop volume on a given surface. However, here we show that even for a fixed drop volume, the static friction force can be tuned by over 30% by preshaping the drop. The static friction usually exceeds the kinetic friction that the drop experiences when moving in a steady state. Both forces converge when the drop is prestretched in the direction of motion or when the drop shows low contact angle hysteresis. In contrast to static friction, kinetic friction is independent of preshaping the drop, that is, the drop history. Kinetic friction forces reflect the material properties.
Marbled cats in Southeast Asia: Are diurnal and semi‐arboreal felids at greater risk from human disturbances?
Authors: Hendry Alexander , Amir Zachary , Decoeur Henri , Mendes Calebe Pereira , Moore Jonathan H. , Sovie Adia , Luskin Matthew Scott
Published: January 2023

Southeast Asia supports the greatest diversity of felids globally, but this diversity is threatened by the severe forest loss and degradation occurring in the region. The response of felids to disturbances appears to differ depending on their ecology. For example, the largely terrestrial and nocturnal leopard cat (Prionailurus bengalensis) thrives near forest edges and in oil palm plantations where it hunts rodents (Muridae) at night, thereby avoiding human activity peaks. Conversely, we hypothesized that the sympatric and similar‐sized marbled cat (Pardofelis marmorata) would respond negatively to edges and relatively open oil palm plantations as they are more arboreal than leopard cats, rely on tree connectivity for hunting, and are diurnal so have less potential to temporally avoid humans. We used camera trapping from Southeast Asia to test habitat associations at multiple spatial scales using zero‐inflated Poisson generalized linear mixed models and hierarchical occupancy modeling. We found that marbled cats were positively associated with large intact forests and, in contrast to leopard cats, negatively associated with oil palm plantations. Furthermore, we found preliminary evidence suggesting marbled cats may adapt their diel activity to become more crepuscular in degraded forests, likely shifting their activity to avoid humans. These findings suggest that the marbled cat's International Union for Conservation of Nature (IUCN) Red List conservation status should potentially be upgraded from Near Threatened to Vulnerable, matching other forest‐dependent felids in the region. We posit our findings may be generalizable such that semi‐arboreal and diurnal felids could face greater threats from habitat degradation than their terrestrial and nocturnal relatives.
Plant community assembly of alpine meadow at different altitudes in Northeast Qinghai‐Tibet Plateau
Authors: Liu Minxia , Xu Lu , Mu Ruolan , Zhang Guojuan , Yu Ruixin , Li Liang
Published: January 2023

The mechanism of community assembly is the core of ecological research. Using phylogenetic‐based and functional trait‐based methods jointly to explore the processes is a useful way to explain the change in assembly mechanisms. The present study combined these methods to explore the mechanism of plant community assembly in alpine meadows at different altitudes on the northeast Qinghai‐Tibet Plateau. We established a permanent study plot of 1.85 × 105 m2 and investigated 162 quadrats of 50 × 50 cm. We calculated the species richness, phylogenetic diversity (PD), standardized effect sizes PD (SES·PD), mean pairwise distance (SES·MPD), mean nearest taxon distance (SES·MNTD), and analyzed plant functional traits and phylogenetic signals. We found that the species richness and PD of plant community showed a “hump‐shaped” pattern, SES·PD showed a decreasing trend, and the phylogenetic structure changed from overdispersion (SES·MPD > 0, SES·MNTD > 0) to clustering (SES·MPD < 0, SES·MNTD < 0) with increasing altitude. The functional structure changed from overdispersion (nearest function index [NFI] < 0) to clustering (NFI > 0) with increasing altitude. Specific leaf area, leaf carbon content, and leaf phosphorus content had weak phylogenetic signals (K < 1, p < 0.05), and the other functional traits (plant height, leaf nitrogen content, leaf dry matter content, and relative chlorophyll content) did not show phylogenetic signals (K < 1, p > 0.05). The above results showed that competitive exclusion was the main driving force of community assembly at low altitudes (3000 and 3250 m), and habitat filtration was the main driving force of community assembly at high altitudes (4000 and 4500 m). For medium altitudes (3500 and 3750 m), the habitat was more complex because it was in the transition area between high and low altitudes, so the process of community construction may be random, habitat filtering, or competitive exclusion. On the whole, the niche process (deterministic process) was more important in driving for plant community assembly in the alpine meadow of the Qinghai‐Tibetan Plateau.
lakeCoSTR: A tool to facilitate use of Landsat Collection 2 to estimate lake surface water temperatures
Authors: Herrick C. , Steele B. G. , Brentrup J. A. , Cottingham K. L. , Ducey M. J. , Lutz D. A. , Palace M. W. , Thompson M. C. , Trout‐Haney J. V. , Weathers K. C.
Published: January 2023

Although remote sensing of lake surface water temperature has been ongoing for decades and has led to important discoveries regarding the warming of lake surface temperature in some regions, the ability to access and use remote sensing data is still primarily limited to remote sensing experts. Effective use of remote sensing data involves technical skills in coding (often in multiple programming languages), application of appropriate atmospheric corrections, and integrating spatially heterogeneous remote sensing data with in situ data obtained at specific geographic locations. To improve access to remote sensing data and broaden the understanding of changes in lake surface water temperature over the past four decades, we created lakeCoSTR (lake Collection 2 Surface Temperature Retrieval), a user‐friendly, cloud‐based script that gives ecologists lacking specialized training in remote sensing the ability to access the Landsat Collection 2 temperature estimates for lakes with a surface area of at least 0.4 ha. Additionally, if in situ data are provided, a paired dataset can be created within the tool. To demonstrate lakeCoSTR, we retrieved surface water temperature data for a lake with a long monitoring history, Lake Sunapee, NH, USA, and compared long‐term surface temperature trends between data obtained via lakeCoSTR and in situ measurements. When compared with Landsat Collection 1 temperature estimates derived from a single‐channel algorithm, the Landsat Collection 2 data from lakeCoSTR required no calibration to in situ data. This suggests that lakeCoSTR can be used to document temporal trends in lakes and to reprocess analyses that relied on Collection 1 data. From 1983 until 2020, remotely sensed surface water temperature estimates at Lake Sunapee increased by 0.07–0.09°C year−1 during July and August, a trend that agreed with long‐term in situ record. As climate change continues to impact freshwater systems, a better understanding of long‐term temperature data will be vital. Remotely sensed data, like those acquired using lakeCoSTR, may provide a window into temperature trends for lakes.
Small changes make big progress: A more efficient eDNA monitoring method for freshwater fish
Authors: Yang Jianghua , Zhang Lijuan , Mu Yawen , Zhang Xiaowei
Published: January 2023

Comprehensive and accurate assessments of fish composition and diversity are essential for understanding fish ecology and resource management. Traditional fish surveys generally involve capturing organisms, which is invasive for the biological community under study and conflicts with the original intention of biodiversity conservation. Environmental DNA (eDNA) metabarcoding has become an integrated method for monitoring fish species without disturbing ecosystems. However, due to the serious nonspecific amplification of primers in eDNA‐based monitoring, many non‐fish sequences, usually human sequences, are also amplified, which results in serious data wastage and an increase in monitoring costs. We designed new universal primers for freshwater fish by analyzing the whole mitochondrial genome of Chinese freshwater fish. The performance of the primers was compared using an in silico polymerase chain reaction, followed by an in vitro metabarcoding analysis using eDNA from the Yangtze River, which is the third largest river in the world and harbors many freshwater fish species. We found that the mitochondrial 12S region is the most suitable metabarcoding gene marker for both Chinese and other freshwater fish. The minor change at the 3′‐end of the primer can greatly reduce the nonspecific amplification and improve the effectiveness of eDNA metabarcoding. Even small changes in primers may have qualitative and quantitative effects on the detected biodiversity, which should be considered in experimental design and data interpretation. These results will help with primer design and selection for eDNA‐based fish surveys, and consequently support the conservation of freshwater biodiversity.