Crystalline Salts Research Articles

A pharmacological perspective on the use of Benzylpenicillin-G in the production of veterinary medicine in Latin America

Benzylpenicillin-G (BP-G) is one of human and veterinary medicine’s most widely used antibacterial drugs. It represents a large market for the Phar­maceutical Industry, and various combinations with frail pharmacological support have been made available to veterinarians. The crystalline sodium and potassium salts of BP-G and the benzathine salt of BP-G have been incorporated into many existing preparations, arguing that higher and more prolonged concentrations are obtained. However, there are not evidence published. Notwithstanding the above, these preparations are presented as sustained-release ones and capable of achieving therapeutic concentrations. There are no pharmacokinetic bases for such combinations of BP-G deriva­tives. It is unlikely that such combinations provide better serum profiles than those offered by an adequate dose of only procaine BP-G. The incorporation of the BP-G benzathine is prohibited in many countries. In Latin America, such combinations limit the amount of procaine BP-G that should be in­jected, ideally ≥ 20 000 IU/kg of body weight every 12-24 h. Within the framework of the rational use of antimicrobial drugs in veterinary medicine advanced by the World Health Organization (WHO) and based on pharma­cological considerations, it is proposed that combinations of BP-G derivatives be restricted, allowing only BP-G procaine preparations. Also, formulations of BP-G incorporating other active principles should offer solid pharmacological support. To date, combined preparations of BP-G have shown no formal pharmacological support. Based on the information presented in this review, it is feasible to conclude that the only BP-G derivative that should be available for veterinary medicine is procaine BP-G.

Rate enhancement of plant growth using Ormus solution: optimization of operating factors by response surface methodology

Phytoremediation is an economical technique for the biological treatment of soil and water contamination. Improving the growth of plants used in this technique leads to greater efficiency of the process. Herein, Lemna minor plant used in phytoremediation was collected from Sarab-e Nilufar region of Kermanshah province, Iran, and maintained in a culture medium. This study focused on the preparation of Ormus solution based on crystalline salt extracted from the salt mountains of Karmowstaj region in Fars province, Iran, to increase the proliferation of Lemna minor. The optimal growth conditions, including the pH of the medium, the residence time in the Ormus preparation process, and the concentration of Ormus solution were analyzed using the response surface methodology (RSM) based on a Box-Behnken design (BBD) model. Numerical optimization based on the quadratic model was carried out to achieve the maximum growth percentage. The percentage of the proliferation of Lemna minor varied from 34.6% to 117.3%, while growth was highest at a medium pH value of 10.75, a residence time of 72 h in the Ormus preparation process, and an Ormus concentration of 17 g.L−1. The results revealed that Ormus, as a supplemental fertilizer, under optimal conditions can significantly increase the rate of plant reproduction.

Research on MgSO4 Whiskers Grown on the Surface of Porous Materials.

The wooden sluice site of the Nanyue Kingdom in Guangzhou, China, is covered with white magnesium sulfate salt whiskers continuously growing from the surface. In this paper, polarizing microscopy, scanning electron microscopy, infrared thermography, Fourier transform infrared spectrometry, and surface tension analysis were utilized to comprehensively analyze the micromorphology of whiskers grown on the surfaces of porous materials collected at the site of Nanyue Kingdom, as well as the change laws of magnesium sulfate solution droplets on the porous hydrophilic matrix, and the migration and crystallization of magnesium sulfate solution in the capillary tube. The diameters of magnesium sulfate salt whiskers grown on the surfaces of porous samples range from 30 to 110 μm. For the first time, it is clear to see that the whisker's structure is hollow and nodular. There are solid crystalline salts in hollow tubes, and some of them are aqueous. The top sections of whiskers are approximately circular and are composed of particles with a size of about 0.4-4.0 μm. Their growth conditions are mainly characterized by the high humidity environment where the porous material is located or locally located, the formation of an annular whisker base, and the pressure difference generated during the formation progress of water-bearing crystals in the capillary of the whisker. The research results expound on the circumstances and mechanism of magnesium sulfate solution-induced whisker development on the surface of porous materials, providing a reference for the study of the whisker growth mechanism.

New expanded porphyrinoids: Synthesis, structure and properties of hemihexaphyrazines and their reduced metal containing derivatives

Hemihexaphyrazines can be considered as hexamembered porphyrinoids of the ABABAB type, where thiadiazole rings (A) and pyrrole-containing subunits (B) joined via aza bridges to form a macrocyclic system with an expanded coordination cavity capable of holding at once three atoms of transition metals that are formed a triangular cluster. It was established for the first time that unsubstituted hemihexaphyrazine and its metal complexes can be reduced to form crystalline salts. These salts were characterized by UV-Vis-NIR and IR spectroscopy, MS, and X-Ray diffraction data. The magnetic properties of these compounds were studied for the first time using EPR and SQUID techniques within the [Formula: see text] K temperature range. It was shown that the three-electron reduction of starting [Formula: see text] yields [Formula: see text] and [Formula: see text] crystalline salts. An unusual doublet-quartet transition was found for the [Formula: see text] dianions. Salt [Formula: see text] also shows an unusually strong low energy NIR absorption, which was observed at 1000–2200 nm with maxima located at 1283 and 1980 nm. A phenomenon consisting of equalization of bond lengths among exocyclic nitrogen atoms ([Formula: see text] and neighboring atoms C(pyrrole) and C(thiadiazole) was observed under reduction conditions.

Synthesis of highly ordered L10 MPt alloys (M = Fe, Co, Ni) from crystalline salts: an in situ study of the pre-ordered precursor reduction strategy

The synthesis of highly ordered magnetic L10 alloys by means of the so-called pre-ordered precursor reduction (PPR) approach is deeply investigated by in situ X-ray absorption spectroscopy experiments.

Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration

Multi-drug crystalline salts of pazopanib with fenamic acids exhibit enhanced dissolution and 20% higher inhibition in the migration of HUVEC cells compared to the reference drug.

Zeolite analogues based on oxysulfidometalate supertetrahedral clusters via coulombic interactions

Four zeolite-like crystalline salts, T3-MEP and T4-MTN/DIA/LON (where MEP, MTN, DIA and LON are the topological codes), have been fabricated.

Improving drug release rate, drug-polymer miscibility, printability and processability of FDM 3D-printed tablets by weak acid-base interaction

Slow drug release, low drug-polymer miscibility, poor printability of polymers used, and high processing temperature are major challenges in developing FDM 3D-printed tablets. These challenges were addressed in this investigation by having a model basic drug, haloperidol (mp: 151.5 °C), interact with a weak acid, malic acid (mp: 130 °C), during the melt extrusion of formulations into filaments used for 3D-printing. Malic acid was selected as it was previously reported that it did not form any crystalline salt with haloperidol but its addition to aqueous media could greatly increase the solubility of haloperidol from ∼ 1 µg/mL to > 1 g per mL of water by acid-base supersolubilization. Concentrated solutions of haloperidol-malic acid mixtures produced amorphous materials upon drying. It has been observed in the present investigation that similar interaction between haloperidol and malic acid may also occur in the absence of water. Upon heating, haloperidol-malic acid mixtures at 1:1 and 1:2 molar ratios turned amorphous starting at ∼ 50 °C, which is much below the melting point of either component. When Kollidon® VA64, a brittle and non-printable polymer, was used as the polymeric carrier, the acid-base interaction greatly reduced the melt viscosity of haloperidol-malic acid-Kollidon® VA64 ternary mixtures. Consequently, melt extrusion of filaments and printing of tablets using such mixtures could be performed at much lower temperatures than those with haloperidol-Kollidon® VA64 binary mixtures. The filaments containing 15 % and 30 % haloperidol along with malic acid and Kollidon® VA64 could be printed into tablets at relatively low temperatures of 125 and 100 °C, respectively, thus making Kollidon® VA64 not only printable but also doing so at low temperatures. Up to 50 % w/w drug load in filaments was achieved without any crystallization of haloperidol or malic acid. Drug release at pH 2 and 6.8 from printed tablets with 100 % infill was 80 % in < 30 min. Thus, the acid-base interaction can successfully resolve multiple development challenges encountered with FDM 3D-printed tablets.

Structurally Unique Salts of Cyamemazine and Their Pharmaceutical Implications

The aim of this study was to prepare new crystalline salts of cyamemazine, an antipsychotic drug, with dicarboxylic acids, and compare their thermal stabilities, dissolution properties, and structural features. Among the eight acids investigated, we report novel salts with four acids, namely, L-malic, malonic, succinic, and fumaric acids. The study was extended to include the already known maleate and marketed L-tartrate salts as well. To the best of our knowledge, this is the first-ever study of the solid-state landscape of cyamemazine and report of its crystal structure. A rare phenomenon of kryptoracemic behavior exhibited by the L-tartrate, L-malate, and maleate salts adds an interesting perspective to this study since one of these salts is currently marketed. A powder second harmonic generation setup was developed as a tool to identify the kryptoracemates of this drug, and how this would help potentially in the production of specific solid forms of drugs is discussed. The dissolution rate measurement of the prepared salts confirmed that the succinate, L-malate, and malonate salts dissolve better and all of the new salts display improved thermal stability than the free base of the API, suggesting great potential for some of the candidates to be used for marketing purposes.

Palladium Nanoparticles Entrapped In a Hydrogen Bonded Crystalline Organic Salt Matrix as a Selective Heterogeneous Reduction Catalyst

Hydrogen bonded crystalline organic salt matrix encapsulates Pd nanoparticles and makes them selective non-pyrophoric catalysts towards reduction of carbon – carbon triple bonds, inhibiting simultaneous C=O reduction. The comparison of the catalytic performance with Pd/C was carried out to show similar catalytic activity of both catalysts towards C=C bonds.

A retrospective analysis of pharmacotherapy in Kazakhstan: Assessment of the rational prescription and use of antibiotics in the nephrology department of a multidisciplinary hospital

&lt;b&gt;Introduction:&lt;/b&gt; The rapid development of the pharmaceutical industry has increased the need to assess and monitor the use of medicines. Thus, necessitates the importance of monitoring the appropriate use of medicines including antimicrobials.&lt;br /&gt; &lt;b&gt;Objective:&lt;/b&gt; Pharmacoeconomic analysis of pharmacotherapy in the nephrology department at a multidisciplinary hospital.&lt;br /&gt; &lt;b&gt;Methods&lt;/b&gt;: The study is a retrospective analysis of medicine use and expenditure. The study utilized the ABC-VEN analysis of medical use and the WHO-AWaRe-2021 analysis of antibiotic use, to determine the prescription and financial trends of the nephrology department (30 beds) of a multidisciplinary regional hospital (total 844 beds) in Turkestan, Kazakhstan 2018-2021.&lt;br /&gt; &lt;b&gt;Results:&lt;/b&gt; The analyzed costs of drugs included 116 international nonproprietary names prescribed to patients from the nephrology department during the study period. In total, pharmacotherapy costs increased by 52.6% in 2021 compared to 2018. Five INN drugs were purchased without their inclusion in the Kazakhstan National Medicinal Formulary, such as atropine sulfate, sodium bicarbonate, sodium chloride (crystalline salt), nitroxoline, and nitrofural. The pharmacoeconomics analysis of antibiotics usage for 2018-2021 showed a sharp increase in the%age of costs.&lt;br /&gt; &lt;b&gt;Conclusion:&lt;/b&gt; The study showed an increase in funding for pharmacotherapy in the department of nephrology, which increases the availability of medicines. However, the trend in prescribing drugs with poor evidence base level, and the increase in the proportion of antibiotic prescription, require immediate intervention including the utilization of clinical pharmacy services for regular assessment of the pharmacoeconomic feasibility of antibiotic therapy. This will improve the quality of medical care and reduce the financial costs.

New Saccharin Salt of Chlordiazepoxide: Structural and Physicochemical Examination.

Since the formation of organic salts can improve the solubility, bioavailability, and stability of active pharmaceutical ingredients, the aim of this work was to prepare an organic salt of chlordiazepoxide with saccharin. To achieve this goal, the saccharin salt of chlordiazepoxide was obtained from a physical mixture of both components by grinding them with a small volume of solvent and by crystallizing them with complete evaporation of the solvent. The resulting salt was examined by methods such as Powder X-ray Diffraction (PXRD), Single Crystal X-ray Diffraction (SCXRD), Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), Fourier Transform Infrared (FT-IR), and Raman spectroscopy. The results of the studies proved that saccharin salt of chlordiazepoxide crystallizes in the orthorhombic Pbca space group with one chlordiazepoxide cation and one saccharin anion in the asymmetric unit. In the crystal of the title compound, the chlordiazepoxide cation and the saccharin anion interact through strong N–H···O hydrogen bonds and weak C–H···O hydrogen bonds. The disappearance of the N–H band in the FT-IR spectrum of saccharin may indicate a shift of this proton towards chlordiazepoxide, while the disappearance of the aromatic bond band in the chlordiazepoxide ring in the Raman spectrum may suggest the formation of intermolecular hydrogen bonds between chlordiazepoxide molecules. The melting point of the salts differs from that of the starting compounds. Thermal decomposition of the salt begins above 200 °C and shows at least two overlapping stages of mass loss. In summary, the results of the research showed that the crystalline salt of the saccharin and chlordiazepoxide can be obtained by various methods: grinding with the addition of acetonitrile and crystallization from acetonitrile or a mixture of methanol with methylene chloride.

New salts of teriflunomide (TFM) – Single crystal X-ray and solid state NMR investigation

New salts of teriflunomide TFM (drug approved for Multiple Sclerosis treatment) with inorganic counterions: lithium (TFM_Li), sodium (TFM_Na), potassium (TFM_K), rubidium (TFM_Rb), caesium (TFM_Cs) and ammonium (TFM_NH4) were prepared and investigated employing solid state NMR Spectroscopy, Powder X-ray Diffraction PXRD and Single Crystal X-ray Diffraction (SC XRD). Crystal and molecular structures of three salts: TFM_Na (CCDC: 2173257), TFM_Cs (CCDC: 2165288) and TFM_NH4 (CCDC: 2165281) were determined and deposited. Compared to the native TFM, for all crystalline salt structures, a conformational change of the teriflunomide molecule involving about 180-degree rotation of the end group, forming an intramolecular hydrogen bond N–H⋯O is observed. By applying a complementary multi-technique approach, employing 1D and 2D solid state MAS NMR techniques, single and powder X-ray diffraction measurements, as well as the DFT-based GIPAW calculations of NMR chemical shifts for TFM_Na and TFM_Cs allowed to propose structural features of TFM_Li for which it was not possible to obtain adequate material for single crystal X-Ray measurement.

Bamboo shoot-based evaporator with self-cleaning and mildew-resistant for efficient solar steam generation

Interfacial solar evaporation (ISE) is a promising strategy for seawater desalination and sewage purification, which could be used to alleviate freshwater scarcity. However, low evaporation efficiency and poor stability restricted its practical viability. To solve this problem, we reported a facile and general in-situ pyrolysis reduction strategy for preparing silver microspheres doping bamboo shoot porous-carbon (Ag-BSC) for the first time. By coating bamboo shoot with Ag-BSC, the bamboo shoot-based double-layer solar evaporator (named AC-BS) was prepared. The photothermal layer of Ag-BSC not only possessed broad light absorption of 96 %, but also exhibited excellent bactericidal performance. Benefiting from the excellent thermal management of bamboo shoot and the photothermal conversion performance of Ag-CBS particles, under one sun illumination, the evaporation rate (ER) and efficiency of AC-BS were 1.51 kg m−2 h−1 and 86.8 %, respectively. AC-BS exhibited excellent mildew-resistant in seawater for seven consecutive days, without mildew aggregation. In particular, crystalline salt can be self-cleaned in the absence of light owing to the surface wettability of bamboo shoot. Furthermore, AC-BS also showed the outstanding purification effect, which could still keep stable evaporation efficiency in harsh environments. These properties of AC-BS ensured its high applicability and durability in practice.

Macrophages in gouty inflammation

Gout disorder is likely to be the most common cause of inflammatory arthritis. Hyperuricemia leads to formation of poorly soluble crystalline urate salts in tissues and joints, thus being etiological factor of the gout. The review summarizes modern views on the mechanisms of autoinflammation in gout disorder and it provides an outlook for the new treatment approaches. Inflammation in gout is related to phagocytosis of the urate crystals and the macrophagic NLRP3 inflammosome activation. This process consists of preliminary stage and proinflammatory cytokine generation phases. During the preliminary phase, soluble and crystalline urate salts initiate mRNA transcription for IL-1 and other proinflammatory cytokines precursors in macrophages, synthesis of NLRP3 inflammosome components, and formation of immune memory. Enhanced transcription of IL-1 and other cytokine precursors is implemented via PRAS49-AKT-mTOR signaling, IL- 1ra anti-inflammantory factor and TLR-MyD88-IRAK-NF-B pathway; the enhanced synthesis of NLRP3 inflammasome components provided via the TLR-NF-B pathway. The immune memory develops due to the epigenetic modifications, associated with (de-) acetylation and (de-) methylation of histones and DNA. During the next phase, the effect of soluble and crystalline urate salts upon macrophages promotes NLRP3 inflammosome activation, due to the following events: 1. К+, Cl- and Са2+ ionic currents shift; 2. lysosomic and mitochondrial damage, leading to the cathepsin B release and enhancement of reactive oxygen production, respectively; 3. NLRP3 relocation between the endoplasmic reticulum, Golgi complex and cytosol; 4. alteration of the NLRP3 structure due to auxiliary proteins attachment, phosphorylation, ubiquitination and acetylation. The NLRP3 inflammosome activity results into increased caspase 1 production which, in turn, produces IL-1 and pyroptotic pores proteins. The pyroptotic pores allow IL-1 passage, which further amplifies inflammation. During the pyroptosis, soluble and crystalline urate salts release from the cells, further increasing inflammation and tissue damage. Understanding the mechanisms of gout-associated inflammation helps us to formulate promising approaches to development of novel treatments. Macrophages are the key cells to crystal-induced inflammation development. Thus, new biothechnologies based on macrophage engineering may appear to be prospective in gout treatment. In this review, we have analyzed the prospects of M3 phenotype macrophages (AB-M3) usage in therapy, unlike M1 and M2 phenotypes, is able to produce anti-inflammatory cytokines in response to the inflammatory factors and, therefore, to inhibit crystal-induced inflammation. Meanwhile, unlike the anti-IL-1 medications, e.g., canakinumab, targeting a single end product of the gout inflammation (IL-1), AB-M3 macrophages inhibit not only IL-1 production, but also a group of other inflammatory cytokines.

Dosimetric properties of thermoluminescent NaCl pellets from Khewra Salt Mines, Pakistan.

Thermoluminescence (TL) and extended dosimetric characteristics of naturally occurring sodium chloride (NaCl) salt were studied. Pellets were prepared from mined crystalline salt obtained from Khewra Salt Mines, Pakistan and irradiated from 1mGy to 10,000 mGy using cobalt-60 gamma source. The TL response showed two dominant peaks around 125°C and 230°C, respectively, at low doses, with an additional peak in between at doses beyond 300 mGy. A linear and supra-linear TL response was observed between 1mGy-100 mGy and 100 mGy-10Gy dose ranges, respectively. During the first 24 h post-irradiation, the TL intensity dropped by 20%. A maximum angular dependence of up to 50% was observed between 0° to 360°. For photon energies between 33 keV and 1.25 MeV significant energy dependence was observed for photons < 100 keV only. Sample sensitivity increased with dose a qualitatively similar behaviour to TLD-200. Effective atomic number (Zeff ) of the sample (14.6) was comparable to TLD-200 (16.3). No significant dose rate effects (deviation for a cobalt-60 source within 3.5%) on the TL sensitivity of the sample were found. The lowest detectable dose limit (LDDL) for salt sample was found to be 0.8mGy whereas the sample reproducibility test showed a maximum of ±11% deviation from the first value.

Structural and vibrational analysis of 2, 4-diamino-6-methyl-1, 3, 5-triazin-1-ium-hydrogen oxalate

An organic crystalline salt − 2,4-Diamino-6-methyl-1,3,5-triazin- 1-ium hydrogen oxalate (DMTO) has hydrogen interactions viz. NH⋯O, CH⋯O, NH⋯N and OH⋯O gives interesting vibrational effect. X-ray diffraction study reveals that DMTO is crystallized in triclinic centrosymmetric space group P-1 as expected. Structural as well as the vibrational spectra have been discussed on the basis of density functional theory (DFT) using B3LYP hybrid functional with the basis set 6–311++G(d,p).Acidic proton of the oxalic acid (OA) is transferred to 2,4-diamino-6-methyl-1,3,5-triazine (DAMT) and giving rise to singly protonated 2,4-diamino-6-methyl-1,3,5-triazinium ion.

Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid.

Creatinine, a biologically important compound, is used to analyze kidney function and kidney diseases in the human body. The salt form of creatinine is used in the formation of drug materials like anti-HIV, antifungal, antiprotozoal, antiviral and antitumour compounds. Here we report the solid-state structures of three new crystalline salts, namely, creatininium (2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium) bromide, C4H8N3O+·Br-, (I), creatininium 3-aminobenzoate, C4H8N3O+·C7H6NO2-, (II), and creatininium 3,5-dinitrobenzoate, C4H8N3O+·C7H3N2O6-, (III). These salts have been synthesized and characterized by single-crystal X-ray diffraction and Hirshfeld surface analysis. The structural chemistry of salts (I)-(III) and their crystal packing are discussed in detail. The primary interaction between the creatinine cation and the acid anion in the three salts is N-H...Br/O hydrogen bonds. In salt (I), the creatinine cation and bromide anion are connected through a pair of N-H...Br hydrogen bonds forming R42(8) and R42(12) ring motifs. In salts (II) and (III), the creatinine cation interacts with the corresponding anion via a pair of N-H...O hydrogen bonds. The crystal structure is further stabilized by C-H...O and O-H...O hydrogen bonds with the ring motifs R22(8), R21(7) and R21(6). Furthermore, the crystal structures are stabilized by π-π, C-H...π, C-O...π and N-O...π stacking interactions. The contributions made by each hydrogen bond in maintaining the crystal structure stability has been quantified by Hirshfeld surface analysis.

Design Framework for Cobalt and Ni-Free High-Capacity Lithium-Ion Cathodes

Growing demand for Lithium-ion batteries for electric transportation and grid-scale storage will inevitably put resource constraints in terms of availability of key critical battery materials such as cobalt, nickel, lithium, and graphite. Specifically limited global reserve of elements such as cobalt and nickel will lead to severe supply chain issues driving the cost and contributing to market uncertainty. Given such scenario, there has been a significant effort in the global research community to develop high performance battery materials derived from relatively earth abundant elements. The talk will highlight ongoing research at PI’s Laboratory and collaborators on developing cobalt-free disorder rock salt (DRX) cathodes for next generation Li-ion. Most practical Li-ion cathode materials have well-ordered structures (e.g., spinel, layered, olivine), while the DRX compounds do not require any cation ordering. Instead, Li transport is achieved by percolation through a cation-disordered within the dense crystalline rock salt structure. Since DRX compounds do not necessitate a layered structure, they do not necessarily require cobalt metal and can be synthesized from an extremely wide variety of common metals, including Ti, Mn, Ni, Al, Nb, Mo, V, Zr, etc. Therefore, such class of materials provides plenty of chemical options for cathode design for Li-ion. Another key enabling aspect for this class of cathodes is the role of fluorine in stabilizing the high voltage oxygen redox and capacity retention. The talk will focus specifically on synthesis and structural design of Li-Mn-Ti-OF based DRX compositions and pathways for improving high voltage redox and stability.This work performed at Oak Ridge National Laboratory is supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Vehicle Technologies Office, under the Applied Battery Materials Program, of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725

Polarizable force fields for accurate molecular simulations of aqueous solutions of electrolytes, crystalline salts, and solubility: Li+, Na+, K+, Rb+, F−, Cl−, Br−, I−

We develop and study polarizable microscopic models, force fields, for molecular simulations of alkali-halide electrolyte aqueous solutions, their crystals, and phase equilibria. We start from the AH/BK3 force fields of Kiss and Baranyai (P. T. Kiss and A. A. Baranyai, J. Chem. Phys. 2014, 141, 114501), which we refine using an approach for determining ion-ion interaction parameters, directly targeting experimental values of the lattice energy, pressure at a given density, and bulk and shear moduli of anhydrous electrolyte crystals. We apply the approach to 16 alkali-halide salts crystallizing in the face-centered cubic rock salt structure. As a result, we obtain force fields which predict rather accurately properties of crystals including their chemical potentials, properties of aqueous solutions including their static permittivity, and aqueous solubility. The force fields can thus find applications in molecular simulations of alkali-halide aqueous electrolytes, their interfaces, phase equilibria, metastable states, and other cases where less accurate models may exhibit various undesirable features such as excessive ion pairing, spurious precipitation, or incorrect low mobility.