• 제목/요약/키워드: Molecular design

검색결과 741건 처리시간 0.033초

Three Cyanide-Bridged One-Dimensional Single Chain CoIII-MnII Complexes: Rational Design, Synthesis, Crystal Structures and Magnetic Properties

  • Zhang, Daopeng;Zhao, Zengdian;Wang, Ping;Chen, Xia
    • Bulletin of the Korean Chemical Society
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    • 제33권5호
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    • pp.1581-1585
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    • 2012
  • Two pyridinecarboxamide dicyanidecobalt(III) building blocks and two mononuclear seven-coordinated macrocycle manganese(II) compounds have been rationally selected to assemble cyanide-bridged heterobimetallic complexes, resulting in three cyanide-bridged $Co^{III}-Mn^{II}$ complexes. Single X-ray diffraction analysis show that these complexes $\{[Mn(L^1)][Co(bpb)]\}ClO_4{\cdot}CH_3OH{\cdot}0.5H_2O$ ($\mathbf{1}$), $\{[Mn(L^2)][Co(bpb)]\}ClO_4{\cdot}0.5CH_3OH$ ($\mathbf{2}$) and ${[Mn(L^1)][Co(bpb)]\}ClO_4{\cdot}H_2O$ ($\mathbf{3}$) ($L^1$ = 3,6-diazaoctane-1,8-diamine, $L^2$ = 3,6-dioxaoctano-1,8-diamine; $bpb2^{2-}$ = 1,2-bis(pyridine-2-carboxamido)benzenate, $bpmb2^{2-}$ = 1,2-bis(pyridine-2-carboxamido)-4-methyl-benzenate) all present predictable one-dimensional single chain structures. The molecular structures of these one-dimensional complexes consists of alternating units of $[Mn(L)]^{2+}$ ($L=L^1$ or $L^2$) and $[Co(L^{\prime})(CN)2]^-$ ($L^{\prime}=bpb2^{2-}$, or $bpmb2^{2-}$), forming a cyanide-bridged cationic polymeric chain with free $ClO_4{^-}$ as the balance anion. The coordination geometry of manganese(II) ion in the three one-dimensional complexes is a slightly distorted pentagonal-bipyrimidal with two cyanide nitrogen atoms at the trans positions and $N_5$ or $N_3O_2$ coordinating mode at the equatorial plane from ligand $L^1$ or $L^2$. Investigation over magnetic properties of these complexes reveals that the very weak magnetic coupling between neighboring Mn(II) ions connected by the diamagnetic dicyanidecobalt(III) building block. A best-fit to the magnetic susceptibility of complex ${\mathbf}{1}$ leads to the magnetic coupling constants $J=-0.084(3)cm^{-1}$.

Interleukin 10 rs1800872 T>G Polymorphism was Associated with an Increased Risk of Esophageal Cancer in a Chinese Population

  • Sun, Jia-Ming;Li, Qiong;Gu, Hai-Yong;Chen, Yi-Jang;Wei, Ji-Shu;Zhu, Quan;Chen, Liang
    • Asian Pacific Journal of Cancer Prevention
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    • 제14권6호
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    • pp.3443-3447
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    • 2013
  • Aim: Esophageal cancer is the eighth most common cancer and sixth leading cause of cancer associated death worldwide. The 5 year survival rate for esophageal cancer patients is very poor and accounts for only 12.3%. Besides environmental risk factors, genetic factors might play an important role in the esophageal cancer carcinogenesis. Methods: We conducted a hospital based case-control study to evaluate the genetic effects of functional single nucleotide polymorphisms (SNPs): interleukin 9 (IL9) rs31563 C>T, IL9 rs31564 G>T, IL10 rs1800872 T>G, IL12A rs2243115 T>G, IL12B rs3212227 T>G and IL13 rs1800925 C>T on the development of esophageal cancer. A total of 380 esophageal squamous cell carcinoma (ESCC) cases and 380 controls were recruited for this study. The genotypes were determined using a custom-by-design 48-Plex SNPscan$^{TM}$ Kit. Results: The IL10 rs1800872 T>G polymorphism was associated with an increased risk of ESCC. However, there were no significant links with the other five SNPs. Stratified analyses indicated no significant risk of ESCC associated with the IL10 rs1800872 T>G polymorphism evident among any subgroups. Conclusion: These findings indicated that functional polymorphism IL10 rs1800872 T>G might contribute to ESCC susceptibility. However, our results were obtained with a limited sample size, so that the power of our analysis was low. Future larger studies with more rigorous study designs of other ethnic populations are required to confirm the current findings.

고품위화 정제공정 부산물(SDAR) 활용을 위한 첨가제 개발 및 이를 이용한 아스팔트 혼합물의 실내 공용성능 평가 (Development of Additive to Modify the SDAR (Solvent DeAsphalting Residue) and Laboratory Performance Evaluation of Asphalt Mixture with Modified SDAR)

  • 백철민;양성린;황성도
    • 한국도로학회논문집
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    • 제18권6호
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    • pp.97-104
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    • 2016
  • OBJECTIVES : The objective of this research is to develop additives for the modification of Solvent DeAsphalting Residue (SDAR) to be used as pavement materials, and evaluate the performance of asphalt mixture manufactured using the SDAR modified by developed additives. METHODS : The SDAR generally consists of more asphaltenes and less oil components compared to the conventional asphalt binder, and hence, the chemical/physical properties of SDAR are different from that of conventional asphalt binder. In this research, the additives are developed using the low molecular oil-based plasticizer to improve the properties of SDAR. First, the chemical property of two SDARs is analyzed using SARA (saturate, aromatic, resin, and asphaltene) method. The physical/rheological properties of SDARs and SDARs containing additives are also evaluated based on PG-grade method and dynamic shear-modulus master curve. Second, various laboratory tests are conducted for the asphalt mixture manufactured using the SDAR modified with additives. The laboratory tests conducted in this study include the mix design, compactibility analysis, indirect tensile test for moisture susceptibility, dynamic modulus test for rheological property, wheel-tracking test for rutting performance, and direct tension fatigue test for cracking performance. RESULTS : The PG-grade of SDARs is higher than PG 76 in high temperature grades and immeasurable in low temperature grades. The dynamic shear modulus of SDARs is much higher than that of conventional asphalt, but the modified SDARs with additives show similar modulus compared to that of conventional asphalt. The moisture susceptibility of asphalt mixture with modified SDARs is good if, the anti-stripping agent is included. The performance (dynamic modulus, rutting resistance, and fatigue resistance) of asphalt mixture with modified SDARs is comparable to that of conventional asphalt mixture when appropriate amount of additives is added. CONCLUSIONS : The saturate component of SDARs is much less than that of conventional asphalt, and hence, it is too hard and brittle to be used as pavement materials. However, the modified SDARs with developed additives show comparable or better rheological/physical properties compared to that of conventional asphalt depending on the type of SDAR and the amount of additives used.

Flavopiridol 유도체에 의한 유방암 MCF-7 세포의 저해 활성에 관한 구조와 활성과의 관계 (QSAR on the Inhibition Acticity of Flavopiridol Analogues against Breast Cancer MCF-7)

  • 성민규;주성모;송아름;성낙도
    • Applied Biological Chemistry
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    • 제50권3호
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    • pp.147-153
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    • 2007
  • 새로운 유방암의 억제 물질을 탐색하고 설계하기 위하여 flavopiridol 유도체의 치환기($R_1{\sim}R_2$) 변화에 따른 유방암 유발세포 MCF-7의 저해활성에 관한 2D-QSAR 및 분자 홀로그래피적인 QSAR을 분석하였다. 2D-QSAR 모델(1)로부터 분자는 분산력으로 그리고 치환기는 입체장애를 유발하는 요인으로 작용하였으며 질량(MS)보다 굴절율(MR)상수가 저해활성에 크게 기여하였다. 그리고 2D-QSAR 모델(2)로부터는 MR상수의 적정값. $(MR)_{opt.}$= 126$Cm^3/mol$을 가지는 치환기의 저해활성이 가장 높을 것으로 예상되었다. 또한, 최적의 HQSAR 모델은 분자 조각의 크기($7{\sim}10$) 조건에서 예측성($q^2$= 0.583)과 상관성($r^2$= 0.982)이 매우 양호하였으며 기여도로부터 flavopiridol 분자내 A고리의 $C_8$원자에 결합된 수소원자나 hydroxyl-기보다 $C_9$원자 부분의 imino 골격이 저해활성에 기여하였다. 결과적으로 치환기들에 의한 분산력이 유방암 유발 세포 MCF-7의 저해활성에 크게 관여하는 주요인이었다.

넙치(Paralichthys olivaceus)자치어 장관백탁증(Bacterial white enteritis) 원인균의 신속 검출 (Rapid Detection of the pathogenic agent of Bacterial white enteritis of Larval and Juvenile Stages in Olive flounder (Paralichthys olivaceus))

  • 문영건;박근태;손홍주;이상현;이정민;허문수
    • 한국어병학회지
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    • 제17권3호
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    • pp.159-169
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    • 2004
  • 2003년 5월과 2003년 10월동안에 제주도내 5개소의 넙치 종묘배양장에서 초기 먹이로 공급 되어지는 동물성 플랑크톤인 rotifer와 20-30일령 넙치 자어에서 장관백탁증 원인균으로 알려진 V. ichthyoenteri를 분리하기 위해 실험한 결과 총 71개의 Vibrio sp. 분리가 되었고, 생화학적 동정결과 2개의 그룹에서 24개의 V ichthyoenteri가 동정 되었다. V. ichthyoenteri의 신속한 검출을 위한 종특이적 primer를 V. ichthyoenteri(KCCM 40870)ISR의 특이적인 서열을 이용하여 제작하였다. V. ichthyoenteri를 포함한 20종의 Vibrio속 균주의 genomic DNA와 18group 분리균주 genomic DNA를 PCR한 결과 V. ichthyoenteri 만의 특이적인 band가 생성됨을 알 수가 있다. 따라서 V. ichthyoenteri(KCCM 40870) ISR의 서열로 제작한 primer가 넙치 자치어에 발병하는 장관백탁증 원인균인 Vibrio ichthyoenteri의 신속한 검출과 정확한 동정을 할 수 있는 molecular marker로 이용할 수 있음을 확인하였다.

회전기기 진동의 Order Tracking을 위한 재합성 필터의 설계 (The Design of Reconstruction Filter for the Order Tracking of the Rotating Machinery)

  • 정승호;박영필;이상조
    • 한국소음진동공학회:학술대회논문집
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    • 한국소음진동공학회 1991년도 춘계학술대회논문집; 한국해사기술연구소, 대전; 1 Jun. 1991
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    • pp.95-98
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    • 1991
  • 회전 기기의 이상으로 인하여 발생하는 진동은 축 회전속도의 고주파 성분 (super-harmonic)이나 또는 분수조파 성분(sub-harmonic)으로 나타나는 경 우가 대부분이기 때문에 회전기기의 진동을 주파수 영역에서 해석함에 있어 파워 스펙트럼의 주파수 축을 Hz로 나타내기보다는 축 회전속도의 order로 써 나타내는 것이 매우 유용하다. 스펙트럼을 order로써 나타내기 위해서는 샘플링 시간을 축 회전속도와 동기(synchronization)시켜야 하는데 이 방법으 로는 회전축에 엔코더(encorder)를 부착하여 엔코더에서 발생하는 펄스 신호 를 이용하여 샘플링하는 방법과 order tracking 필터를 이용하는 방법이 있 다. 그러나 전자의 방법은 원하는 회전축마다 엔코더를 부착하여야 하며 경 우에 따라서는 엔코더를 부착하기가 어려운 경우도 있으며, 회전기기의 운전 개시나 종료시처럼 회전속도가 급격히 변화하는 경우에는 낮은 주파수에서 중첩(aliasig)에 의한 오차가 수반될 수도 있다. 후자의 방법은 order tracking 필터 이외에도 여러 부수장비가 필요하며 기준 주파수(즉 회전속 도)가 급격히 변화하는 경우 PLL(phase locked loop)에서 tracking 오차가 발생된다. 최근에 발표된 논문에서 일정한 시간간격으로 샘플링한 데이터들 로부터 신호를 재합성하여 회전축의 속도와 동기가 되도록 재 샘플링함으로 서 스펙트럼의 주파수를 회전속도의 order로써 나타내는 방법을 제시하였다. 그러나 위 논문에서는 신호의 재합성에 필요한 재합성 필터(reconstruction filter)의 설계 방법에 대하여 구체적인 언급이 없이 다만 결과만을 논하였다. 따라서 본 논문에서는 재합성 필터의 설계 방법에 대하여 구체적인 방법을 제시하고 또한 동기화 샘플링의 장점 및 고려 사항에 대하여 고찰하였다. 고려한 능동 소음제어 에 대해 연구하였다. 경량화 추세에 따라 지반이나 케이싱이 경량이거나 유연하여 회전축과 동적으로 연성된 경우 회전축-베어링-지반으로 이루어진 2중구조의 회전축 계 동특성을 해석할 수 있는 프로그램을 개발하므로서 회전 기계류의 진동 전반에 걸친 문제점에 대한 그 원인과 현상을 명확히 분석하여 국내의 전기 계류의 보다 신뢰성있는 설계 및 제작자료를 확보하는데 기여할 수 있게 하 였다.존의 small molecular Gd-chelate에 비해 매우 큼을 알 수 있었다. MnPC는 간세포에 흡수된 후 담도계로 배출되는 간특이성 조영제임을 확인하였다. 장비 내에서 반복 시행한 평균값의 차이는 대체적으로 유의한 차이가 없었으나, 다른 장비에서 반복 시행한 장비간의 사이에는 유의한 차이가 있는 경우가 더 많았다. 따라서 , MRS 검사를 소뇌나 뇌교의 어떤 절환에 적용하기 전에 각 장비 마다 정상 기준치를 반드시 얻은 후에 이상여부를 판 정하는 것이 필수적이라고 생각된다.EX> 이상이 적절한 진단기준으로 생각되었다. $0.4{\;}\textrm{cm}^3$ 이상의 좌우 부피차를 보이는 모든 증례에서 육안적으로도 해마위축이 뚜렷이 나타났다. 결론 : MR영상을 이용한 해마의 부피측정은 해마경화증 환자의 진단에 있어 육안적인 MR 진단이 어려운 제한된 경우에만 실제적 도움을 줄 수 있는 보조적인 방법으로 생각된다.ofile whereas relaxivity at high field is not affected by τS. On the other hand, the change in τV does not affect low field profile but strongly in fluences on both inflection fie이 and the maximum relaxivity value. The re

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Luminescent Lanthanide Complexes for Advanced Photonics Applications

  • Eom, Yu Kyung;Ryu, Jung Ho;Kim, Hwan Kyu
    • Rapid Communication in Photoscience
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    • 제1권1호
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    • pp.1-9
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    • 2012
  • Luminescent lanthanide complexes have been overviewed for advanced photonics applications. Lanthanide(III) ions ($Ln^{3+}$) were encapsulated by the luminescent ligands such as metalloporphyrins, naphthalenes, anthracene, push-pull diketone derivatives and boron dipyrromethene(bodipy). The energy levels of the luminescent ligands were tailored to maintain the effective energy transfer process from luminescent ligands to $Ln^{3+}$ ions for getting a higher optical amplification gain. Also, key parameters for emission enhancement and efficient energy transfer pathways for the sensitization of $Ln^{3+}$ ions by luminescent ligands were investigated. Furthermore, to enhance the optophysical properties of novel luminescent $Ln^{3+}$ complexes, aryl ether-functionalized dendrons as photon antennas have been incorporated into luminescent $Ln^{3+}$ complexes, yielding novel $Ln^{3+}$-cored dendrimer complex such as metalloporphyrins, naphthalenes, and anthracenes bearing the Fr$\acute{e}$chet aryl-ether dendrons, namely, ($Er^{3+}-[Gn-Pt-Por]_3$ (terpy), $Er^{3+}-[Gn-Naph]_3$(terpy) and $Er^{3+}-[Gn-An]_3$(terpy)). These complexs showed much stronger near-IR emission bands at 1530 nm, originated from the 4f-4f electronic transition of the first excited state ($^4I_{13/2}$) to the ground state ($^4I_{15/2}$) of the partially filled 4f shell. A significant decrease in the fluorescence of metalloporphyrins, naphthalenes and anthracene ligand were accompanied by a strong increase in the near IR emission of the $Ln^{3+}$ ions. The near IR emission intensities of $Ln^{3+}$ ions in the lanthanide(III)-encapsulated dendrimer complexes were dramatically enhanced with increasing the generation number (n) of dendrons, due to the site-isolation and the light-harvesting(LH) effects. Furthermore, it was first attempted to distinguish between the site-isolation and the light-harvesting effects in the present complexes. In this review, synthesis and photophysical studies of inert and stable luminescent $Ln^{3+}$ complexes will be dealt for the advanced photonics applications. Also, the review will include the exploratory investigation of the key parameters for emission enhancement and the effective energy transfer pathways from luminescent ligands to $Ln^{3+}$ ions with $Ln^{3+}$-chelated prototype complexes.

청예 사료작물과 볏짚을 이용한 완전배합발효사료의 제조와 영양적가치 (The Nutritive Values and Manufacture of Total Mixed Fermentation Feeds using Green Forage Crops and RiCE-straw)

  • 이현준;조광근;김원호;김현섭;김준식;강승하;우정희;이홍구;최윤재
    • Journal of Animal Science and Technology
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    • 제44권1호
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    • pp.75-86
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    • 2002
  • 반추동물에서 적당한 조사료의 공급은 젖소의 정상적인 반추 기능을 위해서 반드시 필요하다. 본 연구는 사료 작물 종류별, 볏집 및 곡류의 가공 상태를 달리하여 제조한 TMFF에 대하여 일반 성분, RFV 및 면양의 반추위 성상 변화를 조사하기 위하여 실시하였다. 청예 작물인 옥수수, 목초, 호밀, 유채, 알팔파와 귀리를 주구로 하고 곡류 가공 수준을 무가공 (대조구), 거칠게 분쇄 (7~14mm mesh 이상), 일반 분쇄 (7mm 이하)를 세구로 하여 조제한 각각의 TMFF에 대한 일반 성분을 조사하였다. 또한 Fistula가 부착된 면양 8두를 이용한 반추위 성상과 기호성에 미치는 영향을 조사하였다. 유채 TMFF는 상대적 사료가 (RFV)와 일당 사료 섭취량, A/P 비율에 있어서 다른 처리구보다 높은 경향을 나타내었다. 옥수수 TMFF를 급여한 면양의 반추위 VFA 함량은 90.9 mmol%로서 다른 처리구 보다 높았으며, 또한 사료의 pH도 3.82로서 가장 낮은 경향을 보였다. 그러나 TMFF에 있어서 휘발성 지방산 각각에 대한 차이는 찾을 수 없었다. 결론적으로 곡류 가공 방법에 따른 효과는 나타나지 않았지만 상대적 사료가와 기호성, 건물 손실율만을 고려하여 우수성을 판단할 때 유채, 옥수수, 알팔파, 목초, 귀리, 호밀 TMFF의 순서로 나타났다.

Effects of Castration on Androgen Receptor, IGF-I Ea, MGF and Myostatin Gene Expression in Skeletal Muscles of Male Pigs

  • Yao, Yuchang;Cai, Zhaowei;Zhang, Lifan;Zhao, Chunjiang;Wu, Keliang;Xu, Ningying;Liu, Gang;Wu, Changxin
    • Asian-Australasian Journal of Animal Sciences
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    • 제22권8호
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    • pp.1069-1077
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    • 2009
  • Castration of male pig produces significant negative effects on skeletal muscle development. The androgen receptor (AR), two splice variants of insulin-like growth factor-I (IGF-I Ea and MGF) and the myostatin gene may play important roles in this process. In the present study, the expression of AR, IGF-I Ea, MGF and myostatin genes in three skeletal muscles, the brachialis, longissimus and semitendinosus, were studied using real-time quantitative RT-PCR. Our experimental design used 14 pairs of male Landrace sire${\times}$Yorkshire dam piglets. The two piglets in each pair were full sibs, one of which was castrated at 21 d of age; the other remained intact. The study group was divided into subgroups of equal size. Animals in the first subgroup were slaughtered at 147 d and those of the second at 210 d of age. Carcass weight and lean meat yield were similar between boars and barrows at 147 d of age (p>0.05), whereas barrows had lower carcass weight and less lean meat yield at 210 d of age (p<0.05). Castration caused down-regulation of AR gene expression at both 147 and 210 d of age (p<0.05). The two splice variants of the IGF-I gene from porcine skeletal muscle were cloned using RT-PCR, and it was found that MGF differs from IGF-I Ea in having a 52-base insert in the last coding exon of the mRNA. Both splice variants were down-regulated by castration only at 210 d of age (p<0.05). No differences in expression of the myostatin gene were observed between boars and barrows at either 147 or 210 d of age (p>0.05). These results suggest that the downregulation of AR, IGF-I Ea and MGF gene expression following castration helps to explain the negative effect of castration on skeletal muscle development.

Burkholderia tropica as a Potential Microalgal Growth-Promoting Bacterium in the Biosorption of Mercury from Aqueous Solutions

  • Zarate, Ana;Florez, July;Angulo, Edgardo;Varela-Prieto, Lourdes;Infante, Cherlys;Barrios, Fredy;Barraza, Beatriz;Gallardo, D.I;Valdes, Jorge
    • Journal of Microbiology and Biotechnology
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    • 제27권6호
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    • pp.1138-1149
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    • 2017
  • The use of microalgal biomass is an interesting technology for the removal of heavy metals from aqueous solutions owing to its high metal-binding capacity, but the interactions with bacteria as a strategy for the removal of toxic metals have been poorly studied. The goal of the current research was to investigate the potential of Burkholderia tropica co-immobilized with Chlorella sp. in polyurethane discs for the biosorption of Hg(II) from aqueous solutions and to evaluate the influence of different Hg(II) concentrations (0.041, 1.0, and 10 mg/l) and their exposure to different contact times corresponding to intervals of 1, 2, 4, 8, 16, and 32 h. As expected, microalgal bacterial biomass adhered and grew to form a biofilm on the support. The biosorption data followed pseudo-second-order kinetics, and the adsorption equilibrium was well described by either Langmuir or Freundlich adsorption isotherm, reaching equilibrium from 1 h. In both bacterial and microalgal immobilization systems in the co-immobilization of Chlorella sp. and B. tropica to different concentrations of Hg(II), the kinetics of biosorption of Hg(II) was significantly higher before 60 min of contact time. The highest percentage of biosorption of Hg(II) achieved in the co-immobilization system was 95% at pH 6.4, at 3.6 g of biosorbent, $30{\pm}1^{\circ}C$, and a mercury concentration of 1 mg/l before 60 min of contact time. This study showed that co-immobilization with B. tropica has synergistic effects on biosorption of Hg(II) ions and merits consideration in the design of future strategies for the removal of toxic metals.