Carboxylate Oxygen Atoms Research Articles

Strengthening and toughening mechanisms induced by metal ion cross-linking in wet-drawn bacterial cellulose films

Cellulose nanofibril (CNF) has become a renewable and sustainable building block for functional and structural materials. In this study, combining chemical structure analyses, mechanical experiments, and first principle calculations, we elaborate on the strengthening and toughening mechanisms for the wet-drawn bacterial cellulose (BC) films that contain metal ion crosslinks. Wet-drawing assists the alignment of CNFs, and multivalent metal ion cross-linking further improves the inter-fibril interactions. BC films cross-linked with Na+, Ca2+, Cu2+, Al3+, and Fe3+ all demonstrate improved mechanical strength than the as-received samples. Density functional theory (DFT) calculations reveal that besides the electrostatic forces between the metal ions and the adjacent carboxylate oxygen atoms, Cu2+ and Fe3+ can also form coordination bonds with the adjacent carboxylate oxygen atoms. Among all the five metal ions tried herein, Fe3+ introduces the strongest cross-links between nanofibrils through coordination bonds and electrostatic forces. The BC films cross-linked with Fe3+ exhibit high tensile strength and toughness of 451.51 MPa and 8.19 MJ∙m−3, respectively. The underlying mechanisms discovered herein open new possibilities for utilizing natural fibers.

How Accurate Is the Egg-Box Model in Describing the Binding of Calcium to Polygalacturonate? A Molecular Dynamics Simulation Study.

We performed molecular dynamics (MD) simulations of octameric galacturonate, GalA8, chains in the presence of Ca2+ in a ratio of R = [Ca2+]/[GalA] = 0.25 in order to determine to which extent the popular "egg-box model" (EBM) is able to describe the association between Ca2+ cations and polygalacturonate (polyGalA) chains. To this aim, we slightly revised the empirical parameters for the interaction between Ca2+ and the carboxylate oxygen atoms of GalA units so as to reproduce the experimental Ca2+-GalA association constant. We also defined an ad hoc order parameter, referred to as the egg-box score (EBS), that quantifies any deviation of the local coordination geometry of calcium cations with respect to an "ideal" EBM coordination geometry. The results reveal that the local coordination geometry of Ca2+ cations bound to polyGalA chains differs from that of the EBM. Moreover, polyGalA chains exhibit significant conformational disorder, and the cross-link angles formed between polyGalA chain axes are broadly distributed. Overall, the present study suggests that the EBM fails to describe accurately the association modes between calcium and polyGalA chains at a molar ratio R of 0.25.

A novel C2H2-selective microporous Cd-MOF for C2H2/C2H4 and C2H2/CO2 separation

Separation of acetylene (C2H2) from ethylene (C2H4) or carbon dioxide (CO2) is a vital and difficult task in petrochemical industry. Owing to the similar physical properties, it is very challenging to synthesize target porous materials with standout separation performance. Herein, we report the utilization of an isophthalic acid linker substituted with pyridine groups to construct a novel microporous Cd-MOF [Cd2(dpip)2(DMF)(H2O)]·DMF·H2O (1). The Cd-MOF features suitable pore surfaces modified by carboxyl oxygen atoms to contact closely with C2H2 molecules, which leads to considerable C2H2 adsorption ability of 124.4 cm3 g−1 at 100 kPa and 298 K, significantly higher than C2H4 and CO2. Experimental breakthroughs indicate the Cd-MOF can efficiently separate C2H2 from C2H2/CO2, C2H2/CH4, and C2H2/C2H4 mixtures. The productivities of ≥ 99.996% C2H4 purity calculated on the basis of simulated transient breakthroughs for 1/99 C2H2/C2H4 were determined to be 27.72 and 60.77 L kg−1 at 298 and 273 K, respectively. Molecular simulation demonstrates the pivotal role of the multiple interactions in the framework for C2H2.

Structural Determination of Lysine-Linked Cisplatin Complexes via IRMPD Action Spectroscopy: NNs and NO- Binding Modes of Lysine to Platinum Coexist.

Despite its success as an anticancer drug, cisplatin suffers from resistance and produces side effects. To overcome these limitations, amino-acid-linked cisplatin analogues have been investigated. Lysine-linked cisplatin, Lysplatin, (Lys)PtCl2, exhibited outstanding reactivity toward DNA and RNA that differs from that of cisplatin. To gain insight into its differing reactivity, the structure of Lysplatin is examined here using infrared multiple photon dissociation (IRMPD) action spectroscopy. To probe the influence of the local chemical environment on structure, the deprotonated and sodium-cationized Lysplatin complexes are examined. Electronic structure calculations are performed to explore possible modes of binding of Lys to Pt, their relative stabilities, and to predict their infrared spectra. Comparisons of the measured IRMPD and predicted IR spectra elucidate the structures contributing to the experimental spectra. Coexistence of two modes of binding of Lys to Pt is found where Lys binds via the backbone and side-chain amino nitrogen atoms, NNs, or to the backbone amino and carboxylate oxygen atoms, NO-. Glycine-linked cisplatin and arginine-linked cisplatin complexes have previously been found to bind only via the NO- binding mode. Present results suggest that the NNs binding conformers may be key to the outstanding reactivity of Lysplatin toward DNA and RNA.

A new ternary copper (Ⅱ) complex of 2,4-dihydroxybenzoic acid: Synthesis, crystal structure and its catalytic decomposition effect on AP and RDX

In order to solve the unclear problems of structure and composition for 2,4-dihydroxybenzoic acid (2,4-DHBA) copper salt (β-Cu), a new insoluble ternary copper (Ⅱ) complex of 2,4-DHBA ([Cu(C12H8N2)2(C7H5O4)](C7H5O4)) was designed and synthesized in water. The ternary complex crystallizes in the monoclinic system with the space group P21/n. The central Cu2+ is coordinated with four nitrogen atoms from two 1,10-phenanthroline ligands and one carboxyl oxygen atom from a 2,4-DHBA anion. The other 2,4-DHBA anion does not participate in coordination and only provides the action of balance charge. In addition, compared with β-Cu, no water molecules exist in the ternary complex. The thermal stability of the ternary complex was investigated, as well as its catalytic decomposition activity on AP and RDX. With the addition of the ternary complex, the exothermic decomposition peak temperatures of AP and RDX were reduced from 406.5 to 353.9 ​°C, and 242.3 to 181.4 ​°C respectively, and the apparent activation energies were reduced from 293.1 to 207.4 ​kJ ​mol−1, and 239.6 to 177.5 ​kJ ​mol−1, respectively. Moreover, the addition of the ternary complex has greatly improved the heat release of AP and RDX. The catalytic decomposition performance of the new ternary complex on AP and RDX is much better than that of the traditional β-Cu. Moreover, the new copper (Ⅱ) complex completely changed the thermal decomposition process of RDX from melting decomposition to direct solid phase decomposition, and such catalytic effect is uncommon. Therefore, the new ternary copper (Ⅱ) complex presents a better potential application for modified double-base propellant of RDX.

Antioxidant activity analysis of collagen peptide-magnesium chelate

Antioxidant peptides from natural polymer collagen are highly desirable and their ability to coordinate with minerals will provide new leads for the prevention and treatment of oxidative stress-related diseases. Here, we tested the changes of structures and functional properties of bovine bone collagen peptides (BBCP) after magnesium chelation. The Fourier transform infrared (FTIR) results revealed that Mg(II) chelated with BBCP mainly via amino nitrogen and carboxyl oxygen atoms. The fluorescence and circular dichroism (CD) results indicated that Mg(II) could induce and stabilize the conformational structures, and change the amino acid distribution on the surfaces of BBCP. The chelation of BBCP and Mg(II) led to the improvement of radical scavenging activities, and enhanced the intracellular antioxidant enzyme activities and GSH levels, thus demonstrating higher protective and reparative effects against H2O2-induced oxidative damage. This work provides mechanistic insights for further development of peptide-magnesium chelates for oxidative stress mitigation.

Solid-State Self-Assembly of a Linear Hexanuclear Copper(II) Oxamate Complex with Alternating Antiferro- and Ferromagnetic Coupling

In this work, we describe the synthesis, crystal structure and magnetic properties of the neutral hexacopper(II) complex of formula {[Cubpca)]2[Cu(dmopba)(H2O)]}2·4H2O (1), where Hbpca = bis(2-pyridylcarbonyl)-amide and dmopba = 4,5-dimethyl-1,2-phenylenebis(oxamato). Single crystals of 1 were obtained from the stoichiometric reaction (1:2 molar ratio) of the mononuclear copper(II) complexes (n-Bu4N)2[Cu(dmpba)] and [Cu(bpca)(H2O)2]NO3·2H2O through slow diffusion techniques in water as a solvent. The crystal structure of 1 shows that two neutral {[Cu(bpca)]2[Cu(dmopba)(H2O)]} trinuclear units are connected through double out-of-plane copper to outer carboxylate oxygen atoms resulting in a unique oxamate-bridged linear hexanuclear complex. Hydrogen bonds among adjacent entities involving the non-coordinated water molecules result in a supramolecular 3D network. Magnetic measurements on 1 show the occurrence of moderate antiferromagnetic intratrinuclear interactions between the copper(II) ions from the [Cu(bpca)]+ and [Cu(dmopba)(H2O)]2− fragments across the oxamate bridge and a weak intertrinuclear ferromagnetic interaction between the copper(II) ions that occurs between the two central [Cu(bpca)]+ fragments mediated by the carboxylate groups from the oxamate bridge [J = −31.96(2) cm−1 and J′ = +1.34(2) cm−1; H = J (S1·S2 + S2·S3 + S1′·S2′ + S2′·S3′) + J′ (S1·S1′)].

A New Zn(II) Two-dimensional Coordination Polymer: Synthesis, Structure, Highly Efficient Fluorescence and DFT Study.

A new two-dimensional coordinate polymer, {[Zn2(pbmpd)(H2O)4]·(H2O)}n (H4pbmpd = 1,1'-(1,4-phenylenebis(methylene))bis-(1H-pyrazole-3,5-dicarboxylic acid)), has been hydrothermally synthesized and characterized by IR spectrum, elemental analysis，TGA and X-ray single-crystal/powder diffraction. Structural analyses reveal that complex 1 exhibits a two-dimensional sheet structure in the crystal lattice. In complex 1, the carboxylic oxygen atoms and conjugated N atoms of pbmpd4- bridge zinc(II) ions form indefinitely zigzag shaped one-dimensional chains through p···p stacking interactions which are further connected by [ZnO6] units to form a novel two-dimensional structure. Finally, p···p stacking interactions and intermolecular hydrogen bonds assemble the two dimensional networks into a three-dimensional framework. Furthermore, the luminescent properties are also discussed. Interestingly, the solid state photoluminescence properties of the title polymer show the enhancement effect of spectrum. Density functional theory (DFT) calculations were used to support the experimental data.

Glycosylated peptide-calcium chelate: Characterization, calcium absorption promotion and prebiotic effect

Finding functional preparations that could improve the bioavailability of calcium is one of the keys to solving calcium deficiency. In this study, glycosylated peptides-calcium chelate with calcium absorption promoting activity, named XOS-CSPHs-Ca-MR, was prepared from Crimson Sapper scales protein hydrolysates (CSPHs) and xylooligosaccharides (XOS) via Maillard reaction. Results showed that amino nitrogen, carboxyl oxygen, and carbonyl oxygen atom were the primary calcium chelating sites. Remarkably, XOS-CSPHs-Ca-MR exhibited good calcium phosphate crystallization inhibitory activity, gastrointestinal stability, and could promote calcium transport efficiency in the Caco-2 cell monolayer. In vitro fermentation results showed that XOS-CSPHs-Ca-MR improved the gut microbiota structure of calcium-deficient mice. Its prebiotic effect was achieved by increasing the number of beneficial bacteria, boosting the production of short-chain fatty acids, and improving the colonization ability of microbiota. Therefore, this study could lay a foundation for the study of glycosylated peptide-calcium chelate as a novel calcium supplement with prebiotic effect.

Peptide-Calcium Chelate from Antler (Cervus elaphus) Bone Enhances Calcium Absorption in Intestinal Caco-2 Cells and D-gal-Induced Aging Mouse Model.

Antler bone calcium (AB−Ca) and bioactive peptides (ABPs) were extracted from antler bones (Cervus elaphus) to maximize their value. In this study, 0.14 g calcium was obtained from 1 g antler bone. The peptide−calcium chelate rate was 53.68 ± 1.80%, and the Gly, Pro, and Glu in ABPs were identified to donate most to the increased calcium affinity through the mass spectrometry. Fourier transform infrared spectroscopy showed that calcium predominantly interacted with amino nitrogen atoms and carboxyl oxygen atoms, thereby generating a peptide–calcium chelate. The peptide−calcium chelates were characterized using scanning electron microscopy. A Caco-2 cell monolayer model showed that ABPs significantly increased calcium transport. Furthermore, the D-gal-induced aging mouse model indicated that the ABPs + AB−Ca group showed higher Ca and PINP levels, lower P, ALP, and CTX-1content in serum, and considerably higher tibia index and tibia calcium content. Results showed that ABPs + AB-Ca increased bone formation and inhibited bone resorption, thereby providing calcium supplements for ameliorating senile osteoporosis (SOP).

Isolation, Purification and Structure Identification of a Calcium-Binding Peptide from Sheep Bone Protein Hydrolysate.

To isolate a novel peptide with calcium-binding capacity, sheep bone protein was hydrolyzed sequentially using a dual-enzyme system (alcalase treatment following neutrase treatment) and investigated for its characteristics, separation, purification, and structure. The sheep bone protein hydrolysate (SBPH) was enriched in key amino acids such as Gly, Arg, Pro, Leu, Lys, Glu, Val, and Asp. The fluorescence spectra, circular dichroism spectra, and Fourier-transform infrared spectroscopy results showed that adding calcium ions decreased the α-helix and β-sheet content but significantly increased the random and β-turn content (p < 0.05). Carboxyl oxygen and amino nitrogen atoms of SBPH may participate in peptide–calcium binding. Scanning electron microscopy and energy dispersive spectrometry results showed that SBPH had strong calcium-chelating ability and that the peptide–calcium complex (SBPH–Ca) combined with calcium to form a spherical cluster structure. SBPH was separated and purified gradually by ultrafiltration, gel filtration chromatography, and reversed-phase high-performance liquid chromatography. Liquid chromatography-electrospray ionization/mass spectrometry identified the amino acid sequences as GPSGLPGERG (925.46 Da) and GAPGKDGVRG (912.48 Da), with calcium-binding capacities of 89.76 ± 0.19% and 88.26 ± 0.25%, respectively. The results of this study provide a scientific basis for the preparation of a new type of calcium supplement and high-value utilization of sheep bone.

Tunability of the thermal diffusivity of cellulose nanofibril films by addition of multivalent metal ions

Discovering principles to tune the heat-transport properties of cellulose nanofibril (CNF) films will open the door for the development of biomass-derived heat-transfer materials and break away from existing petroleum-based polymer composites. In this study, we added various multivalent metal ions to CNF films with surface carboxy groups formed by 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) oxidation and measured their thermal diffusivities in the dry state by an original method to verify the tunability of the thermal diffusivity. We found that the in-plane thermal diffusivity of the film is inversely proportional to the ionic radius and directly proportional to the Pauling electro-negativity. The CNF film with proton-neutralized carboxyl groups showed the highest level of thermal diffusivity among the films with various metal ions. Molecular dynamics simulations clarified that the spatial distribution of the introduced ions is determined by the closest distance between the cation and carboxylate oxygen atom of the TEMPO-oxidized CNF surface.

Syntheses, crystal structures and fluorescent properties of imidazole based mixed-ligand nickle and cadmium complexes

Four novel mixed-ligand nickle and cadmium complexes [Cd(tolu)2(imi)3] (1) [CdCl2(imi)2]n (2), [Ni(imi)6](tolu)2 (3) and [Ni(mand)2(imi)2]·H2O (4) (imi = imidazole, Htolu = o-toluic acid, Hmand = mandelic acid) were synthesized and isolated in solid state based on nickle and cadmium salts, imidazole and different carboxylic acids. These complexes were characterized by FT-IR, elemental analyses, thermogravimetric (TG) analyses, UV–vis, X-ray structural analyses and fluorescence spectra. Complexes 1 and 4 are neutral mixed-ligand molecules. Complex 2 exhibits a 2D chain constructed by [CdCl2(imi)2] units. Complex 3 possesses [Ni(imi)6]2- anions with uncoordinated tolulate anions. In complexes 1–4, each imidazole ligand provides one nitrogen atom for coordination. Tolulate and mandelate ligands coordinate to the metal through carboxyl oxygen or hydroxyl oxygen atoms. Plenty of intramolecular hydrogen bonds as N–H⋯O and O–H⋯O interactions are observed in these complexes. Fluorescence properties of the complexes have been deeply investigated and the result reveals that Fe3+ ion has the greatest effect on fluorescence intensity of complex 3. The fluorescence intensity decreases with the increase of iron concentration.

A Study on Repositioning Nalidixic Acid via Lanthanide Complexation: Synthesis, Characterization, Cytotoxicity and DNA/Protein Binding Studies.

“Drug repositioning” is a modern strategy used to uncover new applications for out-of-date drugs. In this context, nalidixic acid, the first member of the quinolone class with limited use today, has been selected to obtain nine new metal complexes with lanthanide cations (La3+, Sm3+, Eu3+, Gd3+, Tb3+); the experimental data suggest that the quinolone acts as a bidentate ligand, binding to the metal ion via the keto and carboxylate oxygen atoms, findings that are supported by DFT calculations. The cytotoxic activity of the complexes has been studied using the tumoral cell lines, MDA-MB-231 and LoVo, and a normal cell line, HUVEC. The most active compounds of the series display selective activity against LoVo. Their affinity for DNA and the manner of binding have been tested using UV–Vis spectroscopy and competitive binding studies; our results indicate that major and minor groove binding play a significant role in these interactions. The affinity towards serum proteins has also been evaluated, the complexes displaying higher affinity towards albumin than apotransferrin.

Preparation, characterization, and osteogenic activity mechanism of casein phosphopeptide-calcium chelate.

Casein phosphopeptides (CPPs) are good at calcium-binding and intestinal calcium absorption, but there are few studies on the osteogenic activity of CPPs. In this study, the preparation of casein phosphopeptide calcium chelate (CPP-Ca) was optimized on the basis of previous studies, and its peptide-calcium chelating activity was characterized. Subsequently, the effects of CPP-Ca on the proliferation, differentiation, and mineralization of MC3T3-E1 cells were studied, and the differentiation mechanism of CPP-Ca on MC3T3-E1 cells was further elucidated by RNA sequencing (RNA-seq). The results showed that the calcium chelation rate of CPPs was 23.37%, and the calcium content of CPP-Ca reached 2.64 × 105 mg/kg. The test results of Ultraviolet–Visible absorption spectroscopy (UV) and Fourier transform infrared spectroscopy (FTIR) indicated that carboxyl oxygen and amino nitrogen atoms of CPPs might be chelated with calcium during the chelation. Compared with the control group, the proliferation of MC3T3-E1 cells treated with 250 μg/mL of CPP-Ca increased by 21.65%, 26.43%, and 28.43% at 24, 48, and 72 h, respectively, and the alkaline phosphatase (ALP) activity and mineralized calcium nodules of MC3T3-E1 cells were notably increased by 55% and 72%. RNA-seq results showed that 321 differentially expressed genes (DEGs) were found in MC3T3-E1 cells treated with CPP-Ca, including 121 upregulated and 200 downregulated genes. Gene ontology (GO) revealed that the DEGs mainly played important roles in the regulation of cellular components. The enrichment of the Kyoto Encyclopedia of Genes and Genomes Database (KEGG) pathway indicated that the AMPK, PI3K-Akt, MAPK, and Wnt signaling pathways were involved in the differentiation of MC3T3-E1 cells. The results of a quantitative real-time PCR (qRT-PCR) showed that compared with the blank control group, the mRNA expressions of Apolipoprotein D (APOD), Osteoglycin (OGN), and Insulin-like growth factor (IGF1) were significantly increased by 2.6, 2.0 and 3.0 times, respectively, while the mRNA levels of NOTUM, WIF1, and LRP4 notably decreased to 2.3, 2.1, and 4.2 times, respectively, which were consistent both in GO functional and KEGG enrichment pathway analysis. This study provided a theoretical basis for CPP-Ca as a nutritional additive in the treatment and prevention of osteoporosis.

The novel U(VI) and Np(VI) mixed-ligand complexes based on quinaldic acid zwitterion

Interaction of U(VI) and Np(VI) with quinaldic acid in the presence of various inorganic (nitrate, chloride, bromide, perrhenate, selenate, sulfate) or organic (dipicolinic acid) counter-ions allowed obtaining a series of complexes where quinaldic acid presents in the zwitterionic form. In all compounds, except one complex, quinaldic acid acts as a monodentate ligand and coordinates metal centers via one of the carboxylic oxygen atoms. In all these cases, isolated molecular complexes are formed. In contrast, uranyl sulfate exhibits 2D layered structure where both sulfate-ions and molecules of quinaldic acid function as linkers. Determination of stability constants for 1:1 complexes has shown that the complexation of U(VI) and Np(VI) with quinaldic acid in solution likely occurs via coordination of the carboxylic group. Prevalence of the zwitterionic form and the coordination via carboxylic group both in solution and solid-state is unexpected taking into account similarity in structures of quinaldic and picolinic acids.

Heteroleptic silver(I), nickel(II), and copper(II) complexes of N4‐substituted thiosemicarbazones and ciprofloxacin: Theoretical, in vitro anti‐proliferative, and in silico molecular modeling and pharmacokinetics studies

In this study, a series of new heteroleptic silver(I), nickel(II), and copper(II) complexes of the type [M(L1–3)(Cfx)n] (1–9), where L1–3 = N4‐substituted thiosemicarbazones (TSCs), Cfx = ciprofloxacin, M = Ag(I), Ni(II), or Cu(II), and n = 1 or 2, have been synthesized and characterized by spectral methods. The spectral data of the complexes suggest bidentate behavior of the TSC ligand, which coordinate with metal ion through thione sulphur and hydrazine nitrogen atoms, and neutral bidentate behavior of the ciprofloxacin drug that coordinates with metal ion through pyridone oxygen and one of the carboxylate oxygen atoms. The structural properties of the silver(I) complexes (1–3) were studied by density functional theory calculations, which indicate the distorted tetrahedral geometry with lower energy gap for complex 3. All the heteroleptic complexes were screened for their in vitro anti‐proliferative activity against four cancerous (lung [A549], estrogen negative [MDA‐MB‐231], estrogen positive [MCF‐7] and Henrietta's cancer cells [HeLa]), and one non‐cancerous (non‐tumorigenic human breast epithelial cell line [MCF‐10a]) cell lines by MTT reduction assay. The obtained results revealed the lower activity of silver(I) complexes and higher activity of copper(II) complexes against the tested cancer cell lines. The complexes 6 and 9 induce apoptosis in MDA‐MB‐231 cells, which was evidenced by acridine orange/ethidium bromide staining method. The molecular docking studies revealed hydrogen bonding and hydrophobic interactions between the complexes and the epidermal growth factor receptor. The in silico analysis of the complexes for Lipinski's “rule of five” and absorption, distribution, metabolism, and excretion properties predicted the drug‐likeness of the synthesized complexes.

Effect of para substituents on magnetic properties of azido-Cu(II) complexes with benzoate/azide coligands: A theoretical perspective

The introduction of benzoic acid with different para substituents into the azido-Cu(II) complex can fine-tune the structure of the complex and regulate its magnetic properties. We constructed 22 azido-Cu(II) complexes, optimized their structure at the B3LYP/def2-TZVP level of theory, and studied their magnetic properties at the B3LYP/ZORA-def2-TZVPP level of theory. Results indicate that as the S2 value between non-orthogonal magnetic orbitals gradually increases with the introduction of substituents, the contribution of the antiferromagnetic part to the magnetic coupling constant Jcalc becomes larger, and the Jcalc gradually decreases. We performed spin population analysis and identified two superexchange pathways for these dinuclear complexes and established a relationship between the average Mulliken charge of the carboxylate oxygen atoms and Jcalc. The understanding of the mechanism through which the substituent effect regulates the magnetic properties of complexes provides a theoretical basis for the informed synthesis of azido-Cu(II) complexes.

Synthesis , Antibacterial Activity of Sm(III) Complex With L-phenylalanine

Synthesis , Antibacterial Activity of Sm(III) Complex With L-phenylalanine

Synthesis and characterization of nonlinear optical metal organic frame work – Cadmium di glycinate monohydrate

The new non-linear optical single crystal of Cadmium di glycinate monohydrate have been synthesized by the slow evaporation solution growth technique and it was characterized by SXRD,powderXRD,SEM, FTIR, UV-Vis-NIR, TG/DTA and SHG measurements. In the polymeric structure the metal ion Cd (II) has coordinated with carboxylate oxygen atom and glycine ligand nitrogen atom. The crystalline nature of the material was proved by PXRD pattern. The lattice strain produced by the bimetallic cadmium is found to be 0.0042. The functional groups are confirmed by FTIR analysis, again the force constant of C-C bond was enhanced to 316 Nm−1. The UV-Visible spectrum reveals the optical qualities such as band gap, transmittance and refractive index of the grown crystal. The lower cut off wavelength was found to be 213 nm. The TG-DTA analyses were carried out to determine the thermal stability as well as the decomposition temperature. The Cadmium-Glycine frame work shows void morphology. The title compound shows superior SHG efficiency compared to standard KDP.