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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Synthesis and reactivity of 2,2,4,4-Tetrakis(tri-tertbutoxysilane-thiolato)-1,3,2,4-dithiadistannetane - crystal and molecular structures of two polymorphic forms
PublikacjaTytułowy związek [Sn(μ-S){SSi(OtBu)3}2]2 (1), zawierający dwa, 4-koordynacyjne atomy cyny, krystalizuje w dwóch odmianach polimorficznych. Forma ortorombowa-1a, została otrzymana w reakcji (tBuO)3SiSH i Et3N z SnCl2, podczas gdy forma trójskośna-1b, w reakcji z SnCl4 jako substratem. Struktura krystaliczna i cząsteczkowa obydwu odmian polimorficznych została wyznaczona przez badania metodą Rentgenowskiej Analizy Strukturalnej,...
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The orientational order parameters of a dendritic liquid crystal organo-siloxane tetrapode oligomer, determined using polarized infrared spectroscopy
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Binuclear Co(II), Zn(II) and Cd(II) tri-tert-butoxysilanethiolates. Synthesis, crystal structure and spectroscopic studies.
PublikacjaA series of Co(II), Zn(II) and Cd(II) complexes have been synthesized in reaction of respective metal tri-tert-butoxysilanethiolates with pyrazine 1 and 2 and 1,2-bis(2-pyridyl)ethylene 3–5. All compounds have been characterized by single-crystal X-ray structure determination, elemental analysis, FT-IR and thermogravimetry. Obtained complexes are bimetallic with the formula of [M{SSi(OtBu)3}2(μ-L)]2 and metal ions bridged by N,N′-spacer....
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Development, characterization and evaluation of composite adsorbent for the adsorption of crystal violet from aqueous solution: Isotherm, kinetics, and thermodynamic studies
PublikacjaThe purpose of this work focuses on the production and investigations of a new composite material as alternative low-cost adsorbent for the removal of crystal violet (CV) dye from waste solution. The production method was performed by in-situ thermal activation technology via extrusion process of polymer wastes containing tire rubber (50 wt%) and polyurethane foam (50 wt%) using single-screw extruder under processing temperature...
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Assessment of Sewage Molecular Markers: Linear Alkylbenzenes in Sediments of an Industrialized Region in Peninsular Malaysia
PublikacjaIn this study, the use of linear alkylbenzenes (LABs) was employed to pinpoint the sources of human activity that cause detrimental impacts on the coastal environment and river ecosystems. LABs were detected using GC–MS in sediment samples assembled from Kim Kim River (KKR) and the Port Dickson coast (PDC). To assess the significance of variations in the distribution and concentrations of LABs across the sampling sites, this study...
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Sputtered silicon solid phase microextraction fibers with a polydimethylsiloxane stationary phase with negligible carry-over and phase bleed
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Studies on applicability of new solid-phase microextraction fibers for the selective extraction and determination of short - chain monocarboksylic acids
PublikacjaShort-chain monocarobxylic acids, sometimes referred to as volatile fatty acids (VFA), are a group of low molecular weight alkyl monocarboxylic acids that are widely distributed within the environment. These molecules contain any from 2 to 8 carbon atoms and originate from the anaerobic biodegradation of organic matter such as carbohydrates, proteins, and fats. These compounds are commonly found in the effluents from animal farming,...
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Tuning the extraction properties of ionogel-coated Solid-phase microextraction fibers based on the solvation properties of the ionic liquids
PublikacjaA silica-based network was used to immobilize ionic liquid-based ionogels and applied as a fiber coating forsolid-phase microextraction (SPME). The ionogels were prepared by a sol–gel process, using two ionic liquids,triethylsulfonium bis(trifluoromethylsulfonyl)imide ([Set3][TFSI]) and 1-butyl-1-methylpiperidinium bis(tri-fluoromethylsulfonyl)imide ([C4C1Pip][TFSI]), as well as their equimolar mixture. Methyltrimethoxysilane wasused...
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Strategy towards the use of ultrafiltration and reverse osmosis for industrial water recovery and reuse as part of the Green Deal Implementation
PublikacjaIn line with the European Parliament’s Resolution of February 10th, 2021 on the new action plan for a closed economy, most of the activities undertaken in the wastewater treatment process should focus on the search for new technologies that use wastewater as a source of water and nutrients. The paper reviews the concept of water reuse in industrial installations, with special emphasis on the use of membrane technologies for this...
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Comparative Analysis of Carbon, Ecological, and Water Footprints of Polypropylene-Based Composites Filled with Cotton, Jute and Kenaf Fibers
PublikacjaComposites containing natural fibers are considered environmentally friendly materials which is related to the reduced use of fossil fuels and the emission of carbon dioxide compared to petroleum-based polymers. Nevertheless, a complete evaluation of their environmental impact requires a broader view. This paper presents a carbon, ecological, and water footprints assessment of polypropylene-based composites filled with cotton,...
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NUMERICAL SIMULATIONS OF HONING PROCESS OF THIN WALL CYLINDER LINERS, WITH CONSTANT AND WITH VARIABLE THICKNESS OF WALL OF HONED PARTS
PublikacjaNumerical simulations of honing process of thin-wall cylinder liners, with constant and with variable thickness of the wall of honed workpieces can improve and can help to conduct the experimental research of honing process and can improve the honing process. A very valuable research assumption, before performing the numerical analysis of computer simulation of honing process, is the measurement of the real geometry of the honing...
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Open-Phase Fault Detection Method for Sensorless Five-Phase Induction Motor Drives with an Inverter Output Filter
PublikacjaThe paper presents the sensorless five-phase induction motor drive implementation with an inverter output filter with third harmonic injection. For the sensorless operation, the required observers are presented for the first and third harmonics with consideration of the inverter output filter. Moreover, the interaction of the observers and the control system is capable to handle a deactivation of one or two phases, which improves...
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Minute and diverse in fossil sticky stuff: Tanytarsini (Diptera: Chironomidae) from early Eocene Indian Cambay amber
PublikacjaWe here present a pioneering systematic review of fossil dipterans of the tribe Tanytarsini (family Chironomidae) discovered in Indian amber from Cambay. The specimens examined belong to five species: Gujaratomyia miripes, Stempellina stebneri sp. nov., Stempellinella pollex sp. nov., Tanytarsus forfex sp. nov. and Tanytarsus ramus sp. nov., which are described. All species belong to the oldest known Tanytarsini and come from the...
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Characterization of Rapana thomasiana as an indication of environmental quality of the Black Sea coast og Bulgaria
PublikacjaW pracy przedstawiono wyniki badań próbek mięczaków morskich (brzuchonogów) na zawartość takich składników jak wielopierścieniowe węglowodory aromatyczne, polichlorowane bifenyle, mikroelementy tych składników oraz aktywność biologiczną. Oceniono różnice w zawartości tych składników w próbkach uzyskanych z tych mięczaków morskich zebranych na obszarach niezanieczyszczonych i obszarach charakteryzujących się dużą intensywnością...
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Użytkownicy sieci portów jachtowych obszaru South Coast Baltic w świetle badań
PublikacjaSouth Coast Baltic jest obszarem turystyki żeglarskiej od Stralsundu w Niemczech, przez polskie wybrzeże Morza Bałtyckiego, do Kłajpedy na Litwie, obejmującym także duńską wyspę Bornholm oraz okolice rosyjskiego Kaliningradu. Głównym produktem turystycznym destynacji South Coast Baltic jest transgraniczna sieć portów jachtowych zlokalizowanych w ponad 130 miastach i miejscowościach, oferująca swoim klientom ok. dziesięć tysięcy...
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Protective Effect of Black Tea Against Ethanol-Induced Oxidative Modifications of Liver Proteins and Lipids
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Is there any association between HCV multiplication and iron induced liver injury in chronic hepatitis C?
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Coexistence of HFE and rare UGT1A1 genes mutations in patients with iron overload related liver injury
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Dendrimer based theranostic nanostructures for combined chemo- and photothermal therapy of liver cancer cells in vitro
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Ribes nigrum L. Extract-Mediated Green Synthesis and Antibacterial Action Mechanisms of Silver Nanoparticles
PublikacjaSilver nanoparticles (Ag NPs) represent one of the most widely employed metal-based engineered nanomaterials with a broad range of applications in different areas of science. Plant extracts (PEs) serve as green reducing and coating agents and can be exploited for the generation of Ag NPs. In this study, the phytochemical composition of ethanolic extract of black currant (Ribes nigrum) leaves was determined. The main components...
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Application of the LPE-Grown LuAG: Ce Film/YAG Crystal Composite Thermoluminescence Detector for Distinguishing the Components of the Mixed Radiation Field
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(Cyclopentadienyl){(N,N-dimethylaminoethyl)cyclopentadienyl} complexes of zirconium: Crystal structure of [(η5-C5H5)(η5-C5H4CH2CH2NHMe2)ZrCl2]2[ZrCl6]
Publikacja(C5H5)ZrCl3 reaguje z [C5H4-CH2CH2NMe2]Li dając polimer koordynacyjny {(C5H5)(C5H4-CH2CH2NMe2)ZrCl2}n, który z kolei w reakcji z HCl daje żółtozielone kryształy [(η5-C5H5)(η5-C5H4CH2CH2NHMe2)ZrCl2]2[ZrCl6]. Ten ostatni związek został scharakteryzowany za pomocą widm NMR oraz przy użyciu rentgenowskiej analizy strukturalnej. Utworzenie w/w związku wskazuje na oderwanie grup C5H5 oraz C5H4-CH2CH2NMe2 od centrum metalicznego Zr(IV).
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Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublikacjaHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublikacjaRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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Copper and copper-manganese 1D coordination polymers: Synthesis optimization, crystal structure and preliminary studies as catalysts for Baylis–Hillman reactions
PublikacjaThis work reports the influence of experimental parameters (pH and counter-ion) in the synthesis of the 1D coordination polymer [Cu(IDA)(H2O)2]n (IDA = iminodiacetate), named here Cu-IDA. Copper-manganese bimetallic coordination polymers were also obtained by isomorphic replacement into Cu-IDA structure, with different molar ratio of Cu2+ and Mn2+ ions, denoted here as Cu/Mn-IDA (0.9/0.1; 0.7/0.3 and 0.5/0.5). New coordination...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublikacjaReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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NEW EXPERIENCES IN DIKE CONSTRUCTION WITH SOIL-ASH COMPOSITESAND FINE-GRAINED DREDGED MATERIALS
PublikacjaThe supporting structure inside a coastal dike is often made of dredged non-uniform sand with good compaction proper-ties. Due to the shortage of natural construction material for both coastal and river dikes and the surplus of different processed mate-rials, new experiments were made with sand-ash mixtures and fine-grained dredged materials to replace both dike core and dikecover materials resulting in economical, environmentally...
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Carbon Fibers Obtained from Flax and Their Adsorption Performance in the Removal of Cu(II) and Co(II) from Aqueous Solutions
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
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Comparison of the Antioxidant Properties of Green Macroalgae from Diverse European Water Habitats by Use of Several Semi-Quantitative Assays
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Revealing the Influence of the Shape, Size, and Aspect Ratio of ZnO Nanoparticles on Antibacterial and Mechanical Performance of Cellulose Fibers Based Paper
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Robust and highly efficient electrocatalyst based on ZIF-67 and Ni2+ dimers for oxygen evolution reaction: In situ mechanistic insight
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Inhibiting Activity of HIV-1: Protease, Reverse Transcriptase and Integrase All Together by Novel Compounds Using Computational Approaches
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Thermoluminescence glow curves and deconvoluted glow peaks of Ge doped flat fibers at ultra-high doses of electron radiation
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Error analysis of calculating average d-q current components using Regular Sampling and Park transformation in FOC drives
PublikacjaIn electric drives using voltage source inverters, motor currents contain ripple component resulting from pulse-width modulated (PWM) voltage. The frequency range of the ripples is much higher than the bandwidth of current control. Therefore the control is performed on the basis of a fundamental current component, i.e. average value with the averaging time being the PWM period. In majority of cases the average current is measured...
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PCR-Based Genotyping of Mycobacterium tuberculosis with New GC-Rich Repeated Sequences and IS6110 Inverted Repeats Used as Primers.
PublikacjaW pracy przedstawiono nową metodę genotypowania Mycobacterium tuberculosis. Zastosowanie oligonukleotydu Mtb1 5'-CCG-GCG-GGG-CCG-GCG-G lub Mtb2 5'-CGG-CGG-CAA-CGG-CGG-C wraz z oligonukleotydami specyficznymi do terminalnych sekwencji elementu insercyjnego IS6110 pozwala na różnicowanie szczepów Mycobacterium tuberculosis w metodzie PCR. Opracowana metoda może być wykorzystana w badaniach epidemiologicznych gruźlicy.
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Bio-Based Polyurethane Composites and Hybrid Composites Containing a New Type of Bio-Polyol and Addition of Natural and Synthetic Fibers
PublikacjaThis article describes how new bio-based polyol during the liquefaction process can be obtained. Selected polyol was tested in the production of polyurethane resins. Moreover, this research describes the process of manufacturing polyurethane materials and the impact of two different types of fibers—synthetic and natural (glass and sisal fibers)—on the properties of composites. The best properties were achieved at a reaction temperature...
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FPGA implementation of reverse residue conversion based on the new Chinese Remainder Theorem II- Part II,- Experimantal results
PublikacjaW pracy opisano realizację sprzętową konwertera z systemu resztowego do systemu binarnego. Konwerter jest oparty na nowej formie chińskiego twierdzenia o resztach CRT II. Teoretyczne aspekty takiej konwersji przedstawiono w części I. Implementację konwertera wykonano w środowisku Xilinx FPGA. Zaprezentowano ogólną architekturę konwertera, a także opisano realizację wybranych bloków. Podano ilość koniecznych zasobów sprzętowych...
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Optimized Space-Vector Modulation Schemes for Five-Phase Precision Low-Speed Drives with Minimizing the Stator Current Ripple
PublikacjaOne of the main ways to improve the quality of a precision electric drive is minimization of the stator current pulsations generated by the voltage inverter. The solution of this problem can be achieved by using of multiphase inverters, as well as improving control algorithms. This paper considers the influence of the space-vector modulation algorithm with different switching sequences of basic vectors on the stator current pulsations...
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Influence of the abrasive grain trajectory on the machining of thin-walled cylinder liners of internal combustion engines with variable kinematics of honing
PublikacjaGładzenie ze zmienną kinematyką posiada szereg zalet w porówna-niu do tradycyjnego gładzenia [1-19], takie jak: mniejsze zużycie na-rzędzia [12, 13], niższa temperatura obróbki [13], lepsza jakość po-wierzchni [12, 13] oraz mniejsza odchyłka walcowości [13]. W arty-kule omówiono zalety zmiennej kinematyki gładzenia. Można zało-żyć, że gładzenia ze zmienną kinematyką „VH” zostanie wdrożone wkrótce w przemyśle, np. w produkcji elementów...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublikacjaThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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KOMPLEKSOWY PROJEKT ZAMOCOWANIA FUNDAMENTU RISERA EKSPORTU ROPY ORAZ FUNDAMENTÓW RUR CT NA PLATFORMIE LOTOS PETROBALTIC
PublikacjaCelem pracy było wykonanie dokumentacji projektowo‐wykonawczej i obliczeń konstrukcji stalowych fundamentowania rurociągów wiszących zatłaczania oraz eksportu ropy montowanych na pontonie platformy „Lotos Petrobaltic”.
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The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers
PublikacjaReactions of [Cp*(OC)3M]Li (Cp* = C5Me5, M = Mo, W) towards t-Bu2P–PCl2 lead to the formation of phosphanylphosphinidene dimers [Cp*(OC)3M(η2-t-Bu2P–P)]2 in fairly good yields. The formation of a tetraphosphorus ligand proceeds via reductive dimerization of t-Bu2P–P units. NMR, X-ray investigations and DFT calculations show that the resulting tetraphosphorus ligand has a structure of dication t-Bu2P+=P–P=P+t-Bu2.
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Modeling the impact of discretizing rotor angular position on computation of field-oriented current components in high speed electric drives
PublikacjaModern drives consist of alternating current electric motors, and the field-oriented control (FOC) of such motors enables fast, precise, and robust regulation of a drive's mechanical variables such as torque, speed, and position. The control algorithm, implemented in a microprocessor, requires feedback from motor currents, and the quality of this feedback is essential to a drive's control properties. Motor phase currents are sampled...
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Concentrations and loads of DOC, phenols and aldehydes in a proglacial arctic river in relation to hydro-meteorological conditions. A case study from the southern margin of the Bellsund Fjord – SW Spitsbergen
PublikacjaClimate warming accelerates the melting and thawing of cryosphere components. Therefore, it favours the release of contaminants stored in High-Arctic glaciers for many years. The rate of land-based glacier retreat is of particular importance for the hydrological regime of glacial rivers, but also for the chemical composition of their waters. In this study, we examined 84 surface water samples collected during a period of 42 days...
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Experimental study on the seepage flow through the ice jam
PublikacjaIn light of the observed climate change, there is a need for better understanding of river ice processes for managing water resources in the cold regions. Ice jams produce significant resistance which may cause rise of water level and flooding. The jam resistance is only referred to the roughness of its underside, and this approach lead to exceptional roughness coefficients which has no physical explanation. Number of evidences...
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The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene
PublikacjaStructure of nitronorbornene derivative C14H12N2O2 synthesized in the reaction of cyclopentadiene with E-2-phenyl-1-cyano-1-nitroethene was determined by single crystal X-ray diffraction analysis. It was found that in analyzed molecule the nitro group is in endo-position whereas phenyl group have exo-ori-entation.
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A New Phenylalanine Derivative Acts as an Antagonist at the AMPA Receptor GluA2 and Introduces Partial Domain Closure: Synthesis, Resolution, Pharmacology, and Crystal Structure
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Uniformity of Thermoluminescence and Optically Stimulated Luminescence Signals Over the Length of Doped LiMgPO4 Crystal Rods Grown by Micro-Pulling-Down Method
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