Acid Potassium Salt Research Articles

Improve Perovskite Solar Cell Stability and Efficiency via Multifunctional Multiple‐Ring Aromatic Dopant Passivation

Organic–inorganic perovskite solar cells, as a representative of the new generation of solar cells, have made satisfactory advancements in development over the past few years. However, the low carrier transport characteristics and energy loss brought on by defects severely restrict its development. This study develops a new liquid crystal material 1‐naphthalene acetic acid potassium salt (C12H9KO2, K‐NAA) as a dopant into the MA0.6FA0.4PbI3−xClx material. The presence of free K+ ions in K‐NAA modifies the perovskite lattice gap, and the CO structure can efficiently passivate the Pb2+ defect caused by the absence of coordination. Therefore, the grain boundaries, which serve as points of moisture penetration become blurred, hence suppressing charge trapping/recombination centers and enhancing the film quality and stability. The naphthalene in K‐NAA has a conjugated multiple‐ring aromatic structure. The abundant π‐electron delocalization present in the conjugated structure of the benzene ring may provide an electron‐rich environment outside the connected crystal structure, resulting in field‐effect passivation and effectively enhancing carrier transport performance. Hence, the devices deliver a champion power conversion efficiency (PCE) of 19.86%. After 700 h under the dark at 25 °C and 30% humidity, the optimized unencapsulated device PCE maintains at 92% of its initial efficiency.

Long-term decay of the water pressure in the osmotic tensiometer

Matric suction is an important state variable required for the assessment of unsaturated soil properties. Tensiometers are commonly used for direct matric suction measurement but have a limited measuring range up to 90 kPa due to the cavitation problem. Osmotic tensiometer (OT) can improve the measuring range of tensiometers by increasing the osmotic pressure of water to avoid the cavitation. However, the long-term water pressure decay that appeared in OTs caused a gradual decrease in their measuring range. In this study, crosslinked poly(acrylamide-co-acrylic acid) potassium salt (PAM-co-PAAK) was used for the preparation of OTs (five in total) to explore the mechanism of water pressure decay of OTs. The maximum water pressure in the OT versus the volume fraction of polymer filled in the OT was described based on the Flory-Huggins polymer theories and validated using WP4C dewpoint hygrometer. The long-term pressure decay of OT-1, OT-2, and OT-3 was observed for 130 d and constant pressures were found for OT-1 and OT-2, indicating that the pressure decay of OT was mainly caused by the stress relaxation of the polymer hydrogels, and standard linear solid (SLS) rheological model was appropriate to fit the decay data. For OT-1, OT-2 and OT-3, the theoretical osmotic pressure that was calculated based on the mass of retrieved polymer from OTs after 130-d pressure observation was higher than the actual osmotic pressure as observed, indicating that polymer leakage cannot explain the pressure decay of the OT. The ultraviolet–visible (UV–visible) spectrophotometry examined the change in polymer concentrations in the water containers of OT-4 and OT-5 and demonstrated that there was no increase in polymer leakage during the period of pressure decay of OT-4 and OT-5. As a result, the pressure decay of OT was not caused by polymer leakage. The results of this research suggested that the viscoelastic properties of polymers should be taken into consideration in further OT development. • Water pressure versus volume fraction of the polymer filled in OT was validated. • Pressure decay in OTs was mainly due to stress relaxation of polymer hydrogels. • No increase in polymer leakage during the period of pressure decay of OTs. • Development of new OTs should consider rheological properties of polymers.

Carboxylic Acid Salts as Dual‐Function Reagents for Carboxylation and Carbon Isotope Labeling

AbstractThe potassium salts of carboxylic acids are developed as efficient carboxylating agents through CO2 exchange. We describe these carboxylates as dual‐function reagents because they function as a combined source of CO2 and base/metalating agent. By using the salt of a commercially available carboxylic acid, this protocol overcomes difficulties when using CO2 gas or organometallic reagents, such as pressurized containers or strictly inert conditions. The reaction proceeds under mild conditions, does not require transition metals or other additives, and shows broad substrate scope. Through the preparation of several biologically important molecules, we show how this strategy provides an opportunity for isotope labeling with low equivalents of labeled CO2.

Carboxylic Acid Salts as Dual-Function Reagents for Carboxylation and Carbon Isotope Labeling.

The potassium salts of carboxylic acids are developed as efficient carboxylating agents through CO2 exchange. We describe these carboxylates as dual-function reagents because they function as a combined source of CO2 and base/metalating agent. By using the salt of a commercially available carboxylic acid, this protocol overcomes difficulties when using CO2 gas or organometallic reagents, such as pressurized containers or strictly inert conditions. The reaction proceeds under mild conditions, does not require transition metals or other additives, and shows broad substrate scope. Through the preparation of several biologically important molecules, we show how this strategy provides an opportunity for isotope labeling with low equivalents of labeled CO2 .

Functional bacterial cellulose nanofibrils with silver nanoparticles and its antibacterial application

Bacterial cellulose (BC) with good biocompatibility and superior mechanical properties has broad applications. BC functionalized with silver nanoparticles (AgNPs) has been assessed as an antimicrobial membrane for wound-healing treatment. During the AgNPs synthesis, avoiding the use of toxic chemicals is very necessary for the development of environmentally friendly procedures. Herein, a Komagataeibacter xylinus-based direct biosynthetic method to fabricate D-Saccharic acid potassium salt (SA)-grafted BC (SABC) through in situ bacterial metabolism was firstly explored. Subsequently, the SABC pellicles were immersed in AgNO3 solution for ion-exchanged process, and the silver nanoparticles (AgNPs) with diameter of ∼25.2 nm were in situ synthesized on SABC nanofiber surfaces by thermal reduction instead of using a reducing agent. The morphology and microstructure of SABC/AgNPs pellicles were analyzed by field-emission scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction, and X-ray photoelectron spectra. Moreover, antibacterial activity measurement performed against the Gram-negative Escherichia coli (E. coli) and Gram-positive Staphylococcus aureus (S. aureus) by disk diffusion and plate count methods, showed high-efficiency bacteria-killing performance of SABC/AgNPs pellicles. This work proposed a new method by using microbial metabolism to prepare BC pellicles with functional groups, and antimicrobial films containing AgNPs was prepared by thermal reduction, exhibiting valuable prospects in wound healing treatment.

Direct synthesis of N, S co-doped porous carbons using novel organic potassium salts as activators for efficient CO2 adsorption

In the current work, we proposed the use of two organic potassium salts, 4-morpholineethanesulfonic acid (MES) potassium salt and 1,4-piperazinediethanesulfonic acid (PIPES) dipotassium salt, as novel and tri-functional activators for the synthesis of N, S co-doped carbons (NSCDCs). The organic potassium salts served as activator and N/S source at the same time, allowing direct synthesis of NSCDCs with N/S free precursor. In order to verify this hypothesis, N,S free hydrochar derived from glucose was selected as the carbon source. NSCDCs with high and tunable surface area (1673–2235 m2/g), N content (3.44–5.80 wt%), and S content (5.26–8.72 wt%) were obtained. Physicochemical properties of the carbons were mainly decided by potassium salt and activation temperature. The NSCDCs were also investigated for their CO2 adsorption properties. At 25 °C and 1 bar, high CO2 uptake of 3.04–3.99 mmol/g was achieved by the carbons. Qst of the NSCDCs was 22.6–28.7 kJ/mol, and CO2 adsorption selectivity over N2 was 10.5–17.3 at 25 °C and 1 bar. At 25 °C and 20 bar, CO2 uptake increased to 11.26–17.29 mmol/g, and exhibited linear dependence on specific surface area. The current work indicated that MES potassium salt/PIPES dipotassium salt could be used as activator for convenient synthesis of NSCDCs as efficient CO2 adsorbents.

Legacy and emerging per- and polyfluoroalkyl substances suppress the neutrophil respiratory burst

Per- and polyfluoroalkyl substances (PFASs) are used in a multitude of processes and products, including nonstick coatings, food wrappers, and fire-fighting foams. These chemicals are environmentally-persistent, ubiquitous, and can be detected in the serum of 98% of Americans. Despite evidence that PFASs alter adaptive immunity, few studies have investigated their effects on innate immunity. The report here presents results of studies that investigated the impact of nine environmentally-relevant PFASs [e.g. perfluorooctanoic acid (PFOA), perfluorooctane sulfonic acid potassium salt (PFOS-K), perfluorononanoic acid (PFNA), perfluorohexanoic acid (PFHxA), perfluorohexane sulfonic acid (PFHxS), perfluorobutane sulfonic acid (PFBS), ammonium perfluoro(2-methyl-3-oxahexanoate) (GenX), 7H-perfluoro-4-methyl-3,6-dioxa-octane sulfonic acid (Nafion byproduct 2), and perfluoromethoxyacetic acid sodium salt (PFMOAA-Na)] on one component of the innate immune response, the neutrophil respiratory burst. The respiratory burst is a key innate immune process by which microbicidal reactive oxygen species (ROS) are rapidly induced by neutrophils in response to pathogens; defects in the respiratory burst can increase susceptibility to infection. The study here utilized larval zebrafish, a human neutrophil-like cell line, and primary human neutrophils to ascertain whether PFAS exposure inhibits ROS production in the respiratory burst. It was observed that exposure to PFHxA and GenX suppresses the respiratory burst in zebrafish larvae and a human neutrophil-like cell line. GenX also suppressed the respiratory burst in primary human neutrophils. This report is the first to demonstrate that these PFASs suppress neutrophil function and support the utility of employing zebrafish larvae and a human cell line as screening tools to identify chemicals that may suppress human immune function.

Development of Superabsorbent Polymer (SAP) Seed Coating Technology to Enhance Germination and Stand Establishment in Red Clover Cover Crop

Drought conditions after sowing threaten the seedling establishment of all seeds, including cover crops. Cover crops are commonly broadcast and, thus, are often susceptible to drought stress after sowing. Our hypothesis was that seed coating with superabsorbent polymers (SAPs) would enhance germination in the lab and stand establishment in the field by increasing water availability to single seeds. Red clover (Trifolium pratense L.) seeds were coated with the following selected SAP formulations at 2% of their seed weight: cross-linked potassium polyacrylate (PAL), cross-linked polyacrylamide-based polymer (PAM), PAM with graphite (PAM+G), and Starch-g-2-Propenoic acid (potassium salt) (STR). The water absorbency of each SAP formulation was >200 g water/g of polymer; STR had the greatest absorbency, at 352 g water/g of polymer. A seed coating method was developed, resulting in the uniform application of SAP from seed to seed. All SAP coating treatments increased germination compared to the 0% SAP coating in controlled environment studies in the lab. Three field trials were conducted for each seed coating treatment, providing a range of climatic soil conditions. Within each field trial, the STR with the greatest water absorbency had a higher stand for treatments sown by broadcasting followed by raking to incorporate seeds. The first two trials were conducted under more stressful conditions. PAM+G performed best in the first two trials by broadcasting seeds with no raking. Collectively, the selected SAP seed coating improved field stands compared to the non-treated controls.

Effects of donor tree age, cutting collection time and K-IBA application on rooting ability of Taxus baccata L. stem cuttings: preliminary results

Abstract The present study investigates the effect of donor tree age (juvenile, adult), collection time (March, November) and the K-IBA (indole-3-butyric acid potassium salt; 0, 3, 6, 12 g L−1 K-IBA) application on rooting of T. baccata stem cuttings. Terminal hardwood leaf stem cuttings were collected of the year 2013 from individuals growing in their natural habitat in the Cholomontas mountains in the northern part of Greece. In cuttings taken from adult individuals, the application of K-IBA only significantly improved the rooting percentage. However, in cuttings taken from juvenile individuals, the collection time and K-IBA application as well as their interaction were statistically significant. In November collection, the cuttings treated with 12 g L−1 of K-IBA exhibited the highest rooting percentage (98.3%), while in March collection, the cuttings treated with 3 g L−1 of K-IBA exhibited higher rooting percentages (61.7%) than those of control (41.7%). In cuttings taken from juvenile individuals, the K-IBA application significantly improved the rooting of cuttings collected in November compared with those collected in March. The cuttings taken from juvenile individuals, exhibited significantly higher rooting percentages than those taken from adult individuals.

CgCaspase-3 activates the translocation of CgGSDME in haemocytes of Pacific oyster Crassostrea gigas

Cysteinyl aspartate specific proteinase-3 (Caspase-3) is an important protein involved in the apoptosis and gasdermin E (GSDME)-mediated cell pyroptosis pathways in vertebrates. A Caspase-3 homologue (designated as CgCaspase-3) was previously identified as an immune receptor specific for lipopolysaccharide (LPS) to regulate apoptosis in the Pacific oyster Crassostrea gigas. In the present study, the binding activity of CgCaspase-3 to different pathogen associated molecular patterns (PAMPs) and its effects on CgGSDME translocation in haemocytes were further investigated in C. gigas. The mRNA expression of CgCaspase-3 could be detected in all the tested tissues, including hepatopancreas, labial palp, adductor muscle, gonad, gill, mantle and haemocytes, and it was highly expressed in labial palp, gonad, haemocytes, and adductor muscle. The mRNA expression of CgCaspase-3 in haemocytes increased significantly at 3, 24, 48 and 72 h after LPS stimulation, and it increased significantly at 6, 12, 24 and 48 h after Vibrio splendidus stimulation. The recombinant CgCaspase-3 displayed binding activity towards LPS, mannose (MAN), peptidoglycan (PGN), and polyinosinic-polycytidylic acid potassium salt (Poly (I:C)). The positive signals of CgGSDME on haemocyte membrane became stronger at 3 h after V. splendidus stimulation, compared with that of Seawater group, and the co-localization of CgCaspase-3 and CgGSDME was observed in the haemocyte membrane. After the injection of dsCgCaspase-3, the positive signals of CgGSDME on haemocyte membrane became weaker compared with that of EGFP-RNAi group at 24 h after V. splendidus stimulation. The results suggested that CgCaspase-3 was able to bind diverse PAMPs and activate the translocation of CgGSDME in haemocytes of oyster response against pathogen invasion.

Short-Term Hyperuricemia Leads to Structural Retinal Changes That Can be Reversed by Serum Uric Acid Lowering Agents in Mice.

PurposeMetabolic disorders have been implicated in ocular diseases, such as age-related macular degeneration (AMD) and diabetic retinopathy (DR). Recently, hyperuricemia (HUA) has been proposed as another risk factor for AMD, although no cause-and-effect experimental data have been published. In this study, we investigated whether HUA would initiate AMD or related retinal damages in hyperuricemic mice.MethodsHUA was induced in male ICR mice by dietary supplements of uric acid and oxonic acid potassium salt, with or without treatments by allopurinol or benzbromarone for various durations. Serum uric acid and angiotensin II concentrations were measured by enzyme-linked immunosorbent assay (ELISA) at regular intervals. The retinal damages were assessed by hematoxylin and eosin staining, immunostaining, and TUNEL assay. The cause-and-effect of HUA was compared among the study groups.ResultsThe results showed that the total thickness of photoreceptor inner and outer segments, as well as the thickness of the photoreceptor outer segment alone, were reduced under HUA. Furthermore, HUA elevated serum angiotensin II, which indicated activation of the renin–angiotensin system (RAS), leading to higher matrix metalloproteinase-2 (MMP-2) expression, and glial activation in the ganglion cell layer. HUA also led to the reduction of retinal pigment epithelium gap junction protein connexin-43 and apoptosis. Uric acid lowering agents, allopurinol or benzbromarone, were effective in ameliorating the impairments.ConclusionsHUA may pose as a causative factor of retinal injuries. The reduction of serum uric acid may reduce the detrimental effects caused by HUA.

Glucocorticoid receptor dysregulation underlies 5-HT2AR-dependent synaptic and behavioral deficits in a mouse neurodevelopmental disorder model

Prenatal environmental insults increase the risk of neurodevelopmental psychiatric conditions in the offspring. Structural modifications of dendritic spines are central to brain development and plasticity. Using maternal immune activation (MIA) as a rodent model of prenatal environmental insult, previous results have reported dendritic structural deficits in the frontal cortex. However, very little is known about the molecular mechanism underlying MIA-induced synaptic structural alterations in the offspring. Using prenatal (E12.5) injection with polyinosinic-polycytidylic acid potassium salt as a mouse MIA model, we show here that upregulation of the serotonin 5-HT2A receptor (5-HT2AR) is at least in part responsible for some of the effects of prenatal insults on frontal cortex dendritic spine structure and sensorimotor gating processes. Mechanistically, we report that this upregulation of frontal cortex 5-HT2AR expression is associated with MIA-induced reduction of nuclear translocation of the glucocorticoid receptor (GR) and, consequently, a decrease in the enrichment of GR at the 5-HT2AR promoter. The translational significance of these preclinical findings is supported by data in postmortem human brain samples suggesting dysregulation of GR translocation in frontal cortex of schizophrenia subjects. We also found that repeated corticosterone administration augmented frontal cortex 5-HT2AR expression and reduced GR binding to the 5-HT2AR promoter. However, virally (adeno-associated virus) mediated augmentation of GR function reduced frontal cortex 5-HT2AR expression and improved sensorimotor gating processes via 5-HT2AR. Together, these data support a negative regulatory relationship between GR signaling and 5-HT2AR expression in the mouse frontal cortex that may carry implications for the pathophysiology underlying 5-HT2AR dysregulation in neurodevelopmental psychiatric disorders.

Potassium Salt Coordination Induced Ion Migration Inhibition and Defect Passivation for High-Efficiency Perovskite Solar Cells.

The disordered distribution of trap states and ion migration limit the commercial application of perovskite solar cells (PSCs). Herein, we apply an oxamic acid potassium salt (OAPS) as a bifunctional additive of perovskite film. The Lewis base group C=O of OAPS can interact with the uncoordinated Pb2+ caused by the I site substitution by Pb and the dangling bonds of the perovskite, which is beneficial to reduce the nonradiative recombination loss. In addition, the countercation K+ of OAPS is confirmed to occupy the perovskite lattice interstitial sites and result in lattice expansion, inhibiting the formation of iodide Frenkel defects and I- ion migration. As a result, the synergistic effect achieves enhanced power conversion efficiency (PCE) from 19.98 to 23.02%, with a fill factor reaching up to 81.90% and suppressed current-voltage hysteresis. The device also presents improved stability, maintaining 93% of the initial PCE after 2000 h of storage.

Effects of rosuvastatin on serum glucose and insulin in hyperuricemic rats

BackgroundHyperuricemia is a state in which the serum levels of uric acid (UA) are elevated. This study was to determine the roles of rosuvastatin in fasting blood glucose (FGB) and insulin levels in hyperuricemic rats.MethodsThirty-six Sprague-Dawley (SD) rats were randomized divided into the control, model and rosuvastatin groups: the control was given no intervention, the model group was established by administrating yeast extract powder and oxonic acid potassium salt, and the rosuvastatin group was given intravenous administration of rosuvastatin for 28 days in hyperuricemic rats. Serum uric acid (SUA), fasting blood glucose (FBG), fasting blood insulin (FBI), glutamic acid decarboxylase antibody (GADA), oral glucose tolerance test (OGTT) levels, and the ultrastructure of pancreatic β-cells were measured. Also, homeostasis model assessment of insulin resistance (HOMA-IR) scores was computed in three groups.ResultsCompared to the model group, SUA were decreased, while the FBG, GADA, OGTT and HOMA-IR at week 4 were significantly increased in rosuvastatin group. However, FBI was not significantly changed between three groups. It was also showed that the structure of pancreatic β-cells was damaged and the number of β-cells was changed in hyperuricemic rats while they were aggravated in rosuvastatin group.ConclusionRosuvastatin has roles in inducing FGB, GADA, OGTT and pancreatic β-cells damage in hyperuricemic rats.

Optimized cell growth and poly(3-hydroxybutyrate) synthesis from saponified spent coffee grounds oil

Spent coffee ground (SCG) oil is an ideal substrate for the biosynthesis of polyhydroxyalkanoates (PHAs) by Cupriavidus necator. The immiscibility of lipids with water limits their bioavailability, but this can be resolved by saponifying the oil with potassium hydroxide to form water-soluble fatty acid potassium salts and glycerol. Total saponification was achieved with 0.5 mol/L of KOH at 50 °C for 90 min. The relationship between the initial carbon substrate concentration (C0) and the specific growth rate (µ) of C. necator DSM 545 was evaluated in shake flask cultivations; crude and saponified SCG oils were supplied at matching initial carbon concentrations (C0 = 2.9–23.0 g/L). The Han-Levenspiel model provided the closest fit to the experimental data and accurately described complete growth inhibition at 32.9 g/L (C0 = 19.1 g/L) saponified SCG oil. Peak µ-values of 0.139 h−1 and 0.145 h−1 were obtained with 11.99 g/L crude and 17.40 g/L saponified SCG oil, respectively. Further improvement to biomass production was achieved by mixing the crude and saponified substrates together in a carbon ratio of 75:25% (w/w), respectively. In bioreactors, C. necator initially grew faster on the mixed substrates (µ = 0.35 h−1) than on the crude SCG oil (µ = 0.23 h−1). After harvesting, cells grown on crude SCG oil obtained a total biomass concentration of 7.8 g/L and contained 77.8% (w/w) PHA, whereas cells grown on the mixed substrates produced 8.5 g/L of total biomass and accumulated 84.4% (w/w) of PHA.Key points• The bioavailability of plant oil substrates can be improved via saponification.• Cell growth and inhibition were accurately described by the Han-Levenpsiel model.• Mixing crude and saponified oils enable variation of free fatty acid content.

Oxamic acid potassium salt as a novel and bifunctional activator for the preparation of N-doped carbonaceous CO2 adsorbents

N-doped porous carbons have shown great potential as CO2 adsorbents. In the current work, we proposed the use of oxamic acid potassium salt (OAPS) as a novel and bifunctional activator for direct synthesis of N-doped porous carbon. OAPS served as both chemical activator and nitrogen source at the same time. N-doped carbons were prepared from different biomass materials including cellulose, agar, and glucose. The yielded carbons exhibited micropores dominated porous structure. Effects of activation conditions and biomass types on the carbons’ physicochemical properties were thoroughly studied. As a result, the carbons showed high specific surface area (733–2438 m2/g) and nitrogen content (1.51–3.92 wt%). The presence of narrow micropores and doped nitrogen qualified OAPS activated carbons as efficient CO2 adsorbents. These carbons demonstrated high CO2 uptake of 3.91 mmol/g at 25 °C and 1 bar. Respective effects of narrow micropores and N-doping on CO2 adsorption were also analyzed and revealed. The current study indicated that OAPS could be used as a very convenient and versatile activator for the preparation of N-doped carbonaceous CO2 adsorbents.

Heat transfer system and feedback temperature controller design for safety process operation of phosphorous acid potassium salts production

The phosphorous acid salts are widely used in the industry because of the effective treatment against various fungal diseases encountered in plants. The production process is exothermic and, with high temperatures around 94℃ achieved, significant risks were observed in terms of occupational health and safety. Therefore, the aim is to design a control system that will make this production process reliable for human health, economic and ecological damage. For this purpose, studies were carried out to determine the optimum operating mode, heat transfer system, and temperature controller design to prevent a sudden temperature rise. First, the overall heat transfer coefficient between the reactor and the jacket was determined as 51.0930 W/m2℃ and, the refrigerant was chosen as cooling water with 1.271 g/s flow rate which is relatively more economical and accessible. The model parameters of the system were determined with a detailed dynamic analysis by giving positive and negative step inputs to the cooling water flow rate and then obtaining model parameters through reaction curve and linear regression methods. By using the obtained model parameters theoretical P, PI and PID parameters were calculated by Cohen Coon and, Ziegler-Nichols approaches, and the success of controller parameters was tested, simulated with the MATLAB Simulink program and lastly, successful temperature control was achieved in the experimental system.

The protective effects and mechanisim of rosuvastatin calcium intervention on myocardial injury in hyperuricemia rat model

Background and Aims : Back ground and aims: 1) The hyperuricemia rat model induced by yeast extract (YEP) combined with oxonic acid potassium salt (OA), Through rosuvastatin intervene in hyperuricemia rats, we could analyze and evaluate the protective mechanism of rosuvastatin on myocardial cell injury in hyperuricemic rats.

Functional group contributions for azo derivatives as anode materials for KIBs: A first-principles study

Due to the large radius of K ions, organic electrodes generally own sufficiently interstitial space and good structural flexibility for potassium-ion batteries (KIBs). Organic compounds containing azo group (NN) are a class of promising anode materials because of their low potential and high reversibility. Herein, we study the electrochemical properties of azo derivatives with different functional groups by using the first-principles method. The results show that during K insertion, these anode materials have small volume expansion ratio of 20%–60% with good cycling performance. The adjunction of functional groups improves the performance of these organic materials as anode for KIBs, and Azobenzene-4,4′-dicarbocylic acid potassium salts (ADAPTS) performs better. This prediction is helpful for the design of azo organic anodes with functional groups.

Design, synthesis and magneto-structural analysis of Cu(II)-coordination networks sustained by N[sbnd]H⋯O and O[sbnd]H⋯O hydrogen bond

Two new coordination network based on mixed ligands, orotic acid potassium salt with 1,3-Di(4-pyridyl)propane (dpp) and malonic acid at room temperature were synthesized as [Cu2(dpp)(HOr)2·2H2O]n (1) and [Cu(HOr)(H2O)2]n (2) respectively. To strategically design and synthesize Cu(II)-coordination networks where N H⋯O and OH⋯O hydrogen bonds act as connecting tools in the construction of three dimensional networks have been discussed. The both complexes have been characterized by single crystal X-ray analysis, elemental analysis, magneto-structural study along with EPR study. The magnetic data reveals that the complex 1 shows antiferromagnetic exchange interactions while complex 2 shows ferromagnetic exchange interaction through {⋯HNCO} dimer. The DFT calculation and HOMO/LUMO molecular orbitals analysis is used to rationalized the magnetic behavior in these coordination polymers.