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Constructing High-Fidelity Phenotype Knowledge Graphs for Infectious Diseases With a Fine-Grained Semantic Information Model: Development and Usability Study.

J Med Internet Res 2021 Jun 15;23(6):e26892. Epub 2021 Jun 15.

Suzhou Institute of Systems Medicine, Suzhou, China.

Background: Phenotypes characterize the clinical manifestations of diseases and provide important information for diagnosis. Therefore, the construction of phenotype knowledge graphs for diseases is valuable to the development of artificial intelligence in medicine. However, phenotype knowledge graphs in current knowledge bases such as WikiData and DBpedia are coarse-grained knowledge graphs because they only consider the core concepts of phenotypes while neglecting the details (attributes) associated with these phenotypes. Read More

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Highly efficient non-doped blue fluorescent OLEDs with low efficiency roll-off based on hybridized local and charge transfer excited state emitters.

Chem Sci 2020 Apr 28;11(19):5058-5065. Epub 2020 Apr 28.

Key Laboratory of Rubber-Plastics of the Ministry of Education/Shandong Province (QUST), School of Polymer Science & Engineering, Qingdao University of Science &Technology 53-Zhengzhou Road Qingdao 266042 P. R. China

Designing a donor-acceptor (D-A) molecule with a hybridized local and charge transfer (HLCT) excited state is a very effective strategy for producing an organic light-emitting diode (OLED) with a high exciton utilization efficiency and external quantum efficiency. Herein, a novel twisting D-π-A fluorescent molecule (triphenylamine-anthracene-phenanthroimidazole; TPAAnPI) is designed and synthesized. The excited state properties of the TPAAnPI investigated through photophysical experiments and density functional theory (DFT) analysis reveal that its fluorescence is due to the HLCT excited state. Read More

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A step-economic and one-pot access to chiral C-tetrasubstituted α-amino acid derivatives a bicyclic imidazole-catalyzed direct enantioselective -acylation.

Chem Sci 2020 Apr 24;11(18):4801-4807. Epub 2020 Apr 24.

Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs, School of Chemistry and Chemical Engineering, Frontiers Science Center for Transformative Molecules, Shanghai Jiao Tong University Shanghai 200240 China

C-Tetrasubstituted α-amino acids are ubiquitous and unique structural units in bioactive natural products and pharmaceutical compounds. The asymmetric synthesis of these molecules has attracted a lot of attention, but a more efficient method is still greatly desired. Here we describe the first sequential four-step acylation reaction for the efficient synthesis of chiral C-tetrasubstituted α-amino acid derivatives from simple -acylated amino acids an auto-tandem catalysis using a single nucleophilic catalyst. Read More

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Formation of diethylamine thermal ionization mass spectrum on NaAu intermetallide.

Rapid Commun Mass Spectrom 2021 Jun 14:e9144. Epub 2021 Jun 14.

Ioffe Physical-Technical Institute of the Russian Academy of Sciences, St. Petersburg, Russia.

Rationale: The mass-spectra of amine thermal ionization on intermetallic NaAu emitters differ significantly from those of the same compounds on the surfaces of transition metals and their oxides. The factors underlying these differences are determined through studying the processes taking place on intermetallic surfaces, which form the corresponding mass spectra.

Methods: The dependence of mass-spectral composition and individual line intensity at diethylamine thermal ionization on intermetallic NaAu surface on diethylamine pressure, oxygen, Na atom current and emitter temperature was studied using the magnet sector mass spectrometer. Read More

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Rational design of an "all-in-one" phototheranostic.

Chem Sci 2020 Jul 21;11(31):8204-8213. Epub 2020 Jul 21.

Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University Beijing 100871 P. R. China

We report here porphodilactol derivatives and their corresponding metal complexes. These systems show promise as "all-in-one" phototheranostics and are predicated on a design strategy that involves controlling the relationship between intersystem crossing (ISC) and photothermal conversion efficiency following photoexcitation. The requisite balance was achieved by tuning the aromaticity of these porphyrinoid derivatives and forming complexes with one of two lanthanide cations, namely Gd and Lu. Read More

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The Aerobic and Anaerobic Contribution During Repeated 30-s Sprints in Elite Cyclists.

Front Physiol 2021 26;12:692622. Epub 2021 May 26.

Centre for Elite Sports Research, Department of Neuromedicine and Movement Science, Norwegian University of Science and Technology, Trondheim, Norway.

Although the ability to sprint repeatedly is crucial in road cycling races, the changes in aerobic and anaerobic power when sprinting during prolonged cycling has not been investigated in competitive elite cyclists. Here, we used the gross efficiency (GE)-method to investigate: (1) the absolute and relative aerobic and anaerobic contributions during 3 × 30-s sprints included each hour during a 3-h low-intensity training (LIT)-session by 12 cyclists, and (2) how the energetic contribution during 4 × 30-s sprints is affected by a 14-d high-volume training camp with (SPR, = 9) or without (CON, = 9) inclusion of sprints in LIT-sessions. The aerobic power was calculated based on GE determined before, after sprints, or the average of the two, while the anaerobic power was calculated by subtracting the aerobic power from the total power output. Read More

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The Epipeptide Biosynthesis Locus epeXEPAB Is Widely Distributed in Firmicutes and Triggers Intrinsic Cell Envelope Stress.

Microb Physiol 2021 Jun 11:1-12. Epub 2021 Jun 11.

Institute of Microbiology, Technische Universität (TU) Dresden, Dresden, Germany.

The epeXEPAB (formerly yydFGHIJ) locus of Bacillus subtilis encodes a minimalistic biosynthetic pathway for a linear antimicrobial epipeptide, EpeX, which is ribosomally produced and post-translationally processed by the action of the radical-SAM epimerase, EpeE, and a membrane-anchored signal 2 peptide peptidase, EpeP. The ABC transporter EpeAB provides intrinsic immunity against self-produced EpeX, without conferring resistance against extrinsically added EpeX. EpeX specifically targets, and severely perturbs the integrity of the cytoplasmic membrane, which leads to the induction of the Lia-dependent envelope stress response. Read More

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Impact of time and phosphorus application rate on phosphorus bioavailability and efficiency of secondary fertilizers recovered from municipal wastewater.

Chemosphere 2021 May 28;282:131017. Epub 2021 May 28.

Ghent University, Faculty of Bioscience Engineering, Laboratory of Analytical Chemistry and Applied Ecochemistry (Ecochem), Coupure Links 653, B Block, 6th Floor, 9000, Ghent, Belgium. Electronic address:

Demand for phosphorus (P) resources other than non-renewable P rock has driven the development of several P recovery technologies from municipal wastewater treatment and directed recovery of P into valuable fertilizers (struvite, ash, iron phosphate, etc.). Although the bioavailability of novel secondary P fertilizers has been examined in previous studies, insufficient attention has been paid to defining optimal plant growth duration and monitoring conditions to assess the dynamic changes in P. Read More

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Combining MGMT promoter pyrosequencing and protein expression to optimize prognosis stratification in glioblastoma.

Cancer Sci 2021 Jun 11. Epub 2021 Jun 11.

Department of Neurosurgery, Beijing Tiantan Hospital, Capital Medical University, National Clinical Research Center for Neurological Diseases, Center of Brain Tumor, Institute for Brain Disorders and Beijing Key Laboratory of Brain Tumor, Beijing, China.

Pyrosequencing (PSQ) represents the golden standard for MGMT promoter status determination. Binary interpretation of results based on the threshold from the average of several CpGs tested would neglect the existence of the "gray zone". How to define the gray zone and reclassify patients in this subgroup remains to be elucidated. Read More

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Cell-penetrating Mitochondria-targeting Ligands for Universal Delivery of Small Molecules, Proteins and Nanomaterials.

Chemistry 2021 Jun 11. Epub 2021 Jun 11.

National University of Singapore, Department of Chemistry, 3 Science Dr., 117543, Singapore, SINGAPORE.

Mitochondria are key organelles that perform vital cellular functions such as cell survival and death. Targeted delivery of different types of cargos to mitochondria is a well-established strategy to study mitochondrial biology and diseases. Of various existing mitochondria-transporting vehicles, most of them suffered from poor cytosolic entry, low delivery efficiency, limited cargo types, and cumbersome preparation protocols, and none was known to be universally applicable for mitochondrial delivery of different types of cargos (small molecules, proteins and nanomaterials). Read More

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Contactless Sleep Monitoring for Early Detection of Health Deteriorations in Community-Dwelling Older Adults: Exploratory Study.

JMIR Mhealth Uhealth 2021 Jun 11;9(6):e24666. Epub 2021 Jun 11.

Gerontechnology and Rehabilitation Group, ARTORG Center for Biomedical Engineering Research, University of Bern, Bern, Switzerland.

Background: Population aging is posing multiple social and economic challenges to society. One such challenge is the social and economic burden related to increased health care expenditure caused by early institutionalizations. The use of modern pervasive computing technology makes it possible to continuously monitor the health status of community-dwelling older adults at home. Read More

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RNAi of vacuolar-type H-ATPase genes causes growth delay and molting defect in .

Bull Entomol Res 2021 Jun 11:1-10. Epub 2021 Jun 11.

Education Ministry Key Laboratory of Integrated Management of Crop Diseases and Pests, College of Plant Protection, Nanjing Agricultural University, Nanjing210095, China.

Henosepilachna vigintioctopunctata is one of the most serious insect pests to a large number of nightshades and cucurbits. RNA interference (RNAi) triggered by double-stranded RNA (dsRNA) offers a reduced risk approach to control the beetle. Identification of amenable target genes and determination of appropriate life stage for dsRNA treatment are two critical steps in order to improve RNAi efficiency. Read More

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Influence of the energy and digestible lysine contents of the diet on performance and egg quality traits of brown-egg laying hens from 19 to 59 weeks of age.

Poult Sci 2021 Apr 21;100(7):101211. Epub 2021 Apr 21.

Departamento de Producción Agraria, Universidad Politécnica de Madrid, 28040 Madrid, Spain. Electronic address:

The influence of nutrient density and standardized ileal digestible lys (DLys) content of the diet on egg production and egg quality traits, was studied in brown-egg laying hens from 19 to 59 wk of age. The experimental design was completely randomized with eight treatments arranged as a 2×4 factorial with two AMEn concentrations (2,680 and 2,780 kcal/kg) and four levels of DLys (0.68, 0. Read More

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1T-Phase Dirac Semimetal PdTe Nanoparticles for Efficient Photothermal Therapy in the NIR-II Biowindow.

ACS Appl Mater Interfaces 2021 Jun 10. Epub 2021 Jun 10.

International Collaborative Laboratory of 2D Materials for Optoelectronic Science & Technology, Engineering Technology Research Center for 2D Materials Information Functional Devices and Systems of Guangdong Province, Institute of Microscale Optoelectronics, Shenzhen University, No. 3688 Nanhai Avenue, Shenzhen 518060, China.

1T-phase transition-metal dichalcogenides (TMDs) nanomaterials are one type of emerging and promising near-infrared II (NIR-II) photothermal agents (PTAs) derived from their distinct metallic electronic structure, but it is still challenging to synthesize these nanomaterials. Herein, PdTe nanoparticles (PTNs) with a 1T crystal symmetry and around 50 nm in size are prepared by an electrochemical exfoliation method, and the corresponding photothermal performances irradiated under a NIR-II laser have been explored. The encapsulation of 1,2-distearoyl--glycero-3-phosphoethanolamine-poly(ethylene glycol) (DSPE-PEG) endows PTNs with water solubility, enhanced photothermal stability, and high biocompatibility. Read More

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Robust Molecular Dipole-Enabled Defect Passivation and Control of Energy Level Alignment for High-Efficiency Perovskite Solar Cells.

Angew Chem Int Ed Engl 2021 Jun 9. Epub 2021 Jun 9.

Georgia Institute of Technology, School of Materials Science and Engineering, 771 Ferst Dr., NW, 3100K, Molecular Science & Engineering Bldg., 30332, Atlanta, UNITED STATES.

The ability to passivate defects and modulate the interface energy-level alignment (IEA) is key to boost the performance of perovskite solar cells (PSCs). Herein, we report a robust route that simultaneously allows defect passivation and reduced energy difference between perovskite and hole transport layer (HTL) via the judicious placement of polar chlorine-terminated silane molecules at the interface. Density functional theory (DFT) points to effective passivation of the halide vacancies on perovskite surface by the silane chlorine atoms. Read More

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Highly Efficient and Thickness Insensitive Inverted Triple-Cation Perovskite Solar Cells Fabricated by Gas Pumping Method.

J Phys Chem Lett 2021 Jun 9;12(23):5580-5586. Epub 2021 Jun 9.

State Key Laboratory of Modern Optical Instrumentation, Key Laboratory of Excited State Materials of Zhejiang Province, Institute of Advanced Photonics, College of Optical Science and Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China.

The gas pumping method (GP) holds the potential of outperforming the antisolvent method (AS) for fabricating perovskite solar cells (PSCs) in many ways such as free of toxic solvents, improved film uniformity, and device reproducibility. Most of the highest power conversion efficiencies (PCEs) of PSCs are still achieved by AS. Successful demonstrations of inverted PSCs produced by GP as well as the corresponding mechanisms are still lacking. Read More

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Structural insights into acyl-ACP selective recognition by the Aeromonas hydrophila AHL synthase AhyI.

BMC Microbiol 2021 Jun 8;21(1):173. Epub 2021 Jun 8.

Sichuan MoDe Technology Co., Ltd., Chengdu, 610000, China.

Background: Aeromonas hydrophila is a gram-negative bacterium and the major causative agent of the fish disease motile aeromonad septicemia (MAS). It uses N-acyl-homoserine lactone (AHL) quorum sensing signals to coordinate biofilm formation, motility, and virulence gene expression. The AHL signaling pathway is therefore considered to be a therapeutic target against pathogenic A. Read More

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The inhibiting effects of biochar-derived organic materials on rice production.

J Environ Manage 2021 Jun 5;293:112909. Epub 2021 Jun 5.

Key Laboratory of Tobacco Biology and Processing, Ministry of Agriculture and Rural Affairs, Tobacco Research Institute of Chinese Academy of Agricultural Sciences, Qingdao, 266101, China. Electronic address:

The effects of PBC and HBC on rice production, NUE and corresponding mechanisms were examined. Six treatments, P05, P30, H05, H30 (P: PBC; H: HBC; 05 and 30 represented the application rate of 0.5 and 3. Read More

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Dynamic interplay of frontoparietal cholinergic innervation and cortical reorganization in the regulation of attentional capacities in aging.

Neurobiol Aging 2021 May 6;105:186-198. Epub 2021 May 6.

Department of Psychology and Neuroscience Program, Temple University, Philadelphia, PA, USA. Electronic address:

Cortical remodeling is linked to age-related cognitive changes in humans; however, the mechanisms underlying cortical reorganization in aging remain unknown. Here we examined the consequences of mild cholinergic thinning of the prefrontal cortex (PFC) and parietal cortex (PC) on attention performance-associated changes in cortical activity in young and aged rats. Prefrontal manipulation produced attentional deficits in aged but not young rats regardless of cholinergic pruning. Read More

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Landfill Leachate Treatment Through Coagulation-flocculation with Lime and Bio-sorption by Walnut-shell.

Environ Manage 2021 Jun 7. Epub 2021 Jun 7.

School of Engineering, Civil Engineering Department, Urmia University, Urmia, Iran.

Due to the environmental consequences corresponding to leachate penetration, a sequence of inexpensive conventional processes proposed leachate treatment. The main objective was maximizing the COD and heavy metal removal efficiencies while minimizing generated sludge volume and material consumption rate. Walnut-shell adsorption complements lime treatment by eliminating heavy metals and low molecular-weight organic compounds. Read More

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Lead halide perovskite for efficient optoacoustic conversion and application toward high-resolution ultrasound imaging.

Nat Commun 2021 06 7;12(1):3348. Epub 2021 Jun 7.

Wuhan National Laboratory for Optoelectronics, School of Optical and electronic information, Huazhong University of Science and Technology, Wuhan, China.

Lead halide perovskites have exhibited excellent performance in solar cells, LEDs and detectors. Thermal properties of perovskites, such as heat capacity and thermal conductivity, have rarely been studied and corresponding devices have barely been explored. Considering the high absorption coefficient (10~10 cm), low specific heat capacity (296-326 J kg K) and small thermal diffusion coefficient (0. Read More

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Semiconducting graphitic carbon nitride integrated membranes for sustainable production of clean water: A review.

Chemosphere 2021 May 26;282:130898. Epub 2021 May 26.

Department of Chemical Engineering, King Fahd University of Petroleum and Minerals, Dhahran, 31261, Saudi Arabia.

Semiconducting membranes integrated with nanomaterials have placed themselves in new emerging researches tremendously for seawater desalination, oil-water separation, disinfection, removal of inorganic as well as organic pollutants. Howbeit, only nanoparticles unified membranes show quite a lot lags in their performance, although some of these particles associated with the demerits of high cost. In contrast, graphitic carbon nitride incorporated membranes offered improved aforementioned properties corresponding to absolute essential qualities such as cost-effective, environmentally friendly, easy-to-operate, green manufacturing, anti-fouling, and low energy consumption. Read More

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Hydrogen-Bond-Driven Synergistically Enhanced Hyperpolarizability: Chiral Coordination Polymers with Nonpolar Structures Exhibiting Unusually Strong Second-Harmonic Generation.

Angew Chem Int Ed Engl 2021 Jun 7. Epub 2021 Jun 7.

Sogang University, Chemistry Department, 35 Baekbeom-ro, Mapo-gu, 04107, Seoul, KOREA, REPUBLIC OF.

Four chiral coordination polymers (CPs), M[( S , S )-C 14 H 14 N 2 O 6 ] and M[( R , R )-C 14 H 14 N 2 O 6 ] (M = Zn or Cd), have been exclusively synthesized in high yields with the aid of newly designed chiral ligand under hydrothermal condition. The CPs crystallizing in the orthorhombic nonpolar space group, C 222 1 , reveal three-dimensional framework structures composed of MO 4 tetrahedra and the corresponding homochiral linkers. Powder second-harmonic generation (SHG) measurements indicate that the nonpolar CPs reveal very strong SHG efficiency of ca. Read More

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An Intraoperative Trajectory-Determined Strategy of Patient-Specific Drill Template for C Transoral Pedicle Insertion in Incomplete Reduction of Atlantoaxial Dislocation: An In Vitro Study.

Orthop Surg 2021 Jun 6. Epub 2021 Jun 6.

Department of Anatomy, Guangdong Provincial Key Laboratory of Medical Biomechanics, School of Basic Medical Sciences, Southern Medical University, Guangzhou, China.

Objectives: This study aims to explore a novel intraoperative trajectory-determined strategy of grouped patient-specific drill templates (PDTs) for transoral C pedicle screw insertion (C TOPI) for atlantoaxial dislocation (AAD) with incomplete reduction and to evaluate its efficiency and accuracy.

Methods: Ten cadaveric C specimens were scanned by computed tomography (CT) and randomly divided into two groups (the PDT and freehand groups). A novel intraoperative trajectory-determined strategy of grouped PDTs was created for AAD with incomplete reduction. Read More

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Pd-Single-Atom Coordinated Biocatalysts for Chem-/Sono-/Photo-Trimodal Tumor Therapies.

Adv Mater 2021 Jun 6:e2101095. Epub 2021 Jun 6.

Department of Ultrasound, National Clinical Research Center for Geriatrics, West China Hospital, College of Polymer Science and Engineering, Sichuan University, Chengdu, 610041, China.

The diversity, complexity, and heterogeneity of malignant tumor seriously undermine the efficiency of mono-modal treatment. Recently, multi-modal therapeutics with enhanced antitumor efficiencies have attracted increasing attention. However, designing a nanotherapeutic platform with uniform morphology in nanoscale that integrates with efficient chem-/sono-/photo-trimodal tumor therapies is still a great challenge. Read More

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Synergistic Effect of RbBr Interface Modification on Highly Efficient and Stable Perovskite Solar Cells.

ACS Omega 2021 Jun 17;6(21):13766-13773. Epub 2021 May 17.

Key Laboratory of Applied Surface and Colloid Chemistry, Ministry of Education; Shaanxi Key Laboratory for Advanced Energy Devices; Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi'an 710119, China.

Compact TiO films are one of the most widely used electron transport layers (ETLs) in planar perovskite solar cells (PSCs). However, the performance of the PSC device is controlled by the comprehensive qualities of the functional layers and their bilateral surfaces. In this work, the alkali metal halide of RbBr as the interfacial modifier is introduced into the interface of the TiO ETL and perovskite absorber. Read More

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Panchromatic dirhodium photocatalysts for dihydrogen generation with red light.

Chem Sci 2020 Aug 5;11(36):9775-9783. Epub 2020 Aug 5.

Department of Chemistry and Biochemistry, The Ohio State University Columbus OH 43210 USA

A series of three dirhodium complexes -[Rh(DPhB)(bncn)](BF) (, DPhB = diphenylbenzamidine; bncn = benzocinnoline), -[Rh(DPhTA)(bncn)](BF) (, DPhTA = diphenyltriazenide), and -[Rh(DPhF)(bncn)](BF) (, DPhF = ,'-diphenylformamidinate) shown to act as single-molecule photocatalysts for H production was evaluated. Complexes are able to generate H in the absence of any other catalyst in homogenous acidic solution upon irradiation with red light in the presence of the sacrificial electron donor BNAH (1-benzyl-1,4-dihydronicotinamide). The excited state of each complex is reductively quenched by BNAH, producing the corresponding one-electron reduced complex. Read More

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Prefrontal Functional Connectivity During the Verbal Fluency Task in Patients With Major Depressive Disorder: A Functional Near-Infrared Spectroscopy Study.

Front Psychiatry 2021 21;12:659814. Epub 2021 May 21.

Clinical Emotion and Cognition Research Laboratory, Inje University, Goyang, South Korea.

Deviations in activation patterns and functional connectivity have been observed in patients with major depressive disorder (MDD) with prefrontal hemodynamics of patients compared with healthy individuals. The graph-theoretical approach provides useful network metrics for evaluating functional connectivity. The evaluation of functional connectivity during a cognitive task can be used to explain the neurocognitive mechanism underlying the cognitive impairments caused by depression. Read More

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Determining the Black Soldier fly larvae performance for plant-based food waste reduction and the effect on Biomass yield.

Waste Manag 2021 Jun 2;130:147-154. Epub 2021 Jun 2.

CSIR-National Environmental Engineering Research Institute (NEERI), Kolkata Zonal Centre, Kolkata, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India. Electronic address:

Management of Municipal solid waste in low-income countries with high population densities such as India has always been a strenuous task. With perpetual advancements, there are many available technologies dealing with waste management such as incineration, pyrolysis and landfill operations. But such technologies are often accompanied with some limitations (operational and maintenance problems) and have negative environmental impacts. Read More

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Facile strategy to prepare polyimide nanofiber assembled aerogel for effective airborne particles filtration.

J Hazard Mater 2021 Aug 24;415:125739. Epub 2021 Mar 24.

College of Materials Science and Engineering, Donghua University, Shanghai 201620, People's Republic of China; State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, Donghua University, Shanghai 201620, People's Republic of China. Electronic address:

Polyimide nanofiber (PINF) aerogel materials have received extensive attention as heat insulation, sensors and filtration media due to their excellent thermodynamic properties and unique porous structure. However, PINF must be difficult to disperse in organic solvents (dioxane or dimethyl sulfoxide) and dimensional instability has been regarded as issues that limits the preparation of PINF aerogels, especially in the water. So, it is of great significance to prepare polyimide aerogels with stable structure using water as a dispersant. Read More

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